data_1gya_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 1gya _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.239 0.528 0 CA-C-O 122.844 1.307 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.58 174.37 7.31 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 123.067 1.413 . . . . 0.0 112.164 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.912 HD11 ' CE2' ' A' ' 98' ' ' PHE . 13.2 mt -107.06 111.9 24.57 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.42 1.105 . . . . 0.0 110.983 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.78 91.61 0.01 OUTLIER 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.925 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.849 HG23 ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -99.01 137.36 37.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.769 0.795 . . . . 0.0 110.55 -173.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -127.64 161.77 28.08 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.063 0.935 . . . . 0.0 111.544 -172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.17 -159.57 9.48 Favored Glycine 0 C--O 1.239 0.441 0 CA-C-O 122.482 1.046 . . . . 0.0 111.548 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.673 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -157.58 150.66 23.37 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 121.844 -0.798 . . . . 0.0 110.316 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.961 ' CD1' HG23 ' A' ' 102' ' ' ILE . 6.4 mp -65.3 133.76 52.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.764 1.268 . . . . 0.0 111.158 -172.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.89 43.67 10.95 Favored Glycine 0 C--O 1.251 1.197 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.094 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.673 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -132.57 -179.18 5.3 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 123.437 1.589 . . . . 0.0 110.955 -173.402 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.925 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -136.54 128.64 29.64 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.335 1.064 . . . . 0.0 110.106 172.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.854 HG23 HD12 ' A' ' 100' ' ' LEU . 7.7 tp -126.62 168.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.986 0.898 . . . . 0.0 112.105 -170.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.49 ' O ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -128.55 -177.69 4.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.159 1.457 . . . . 0.0 111.613 -175.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.839 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.9 OUTLIER -140.32 89.67 2.3 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.324 -176.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.91 105.77 17.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 110.454 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 1.089 HG22 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -98.75 -48.12 0.22 Allowed Pre-proline 0 C--O 1.245 0.858 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -171.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 1.089 ' HD3' HG22 ' A' ' 21' ' ' ILE . 86.2 Cg_exo -52.7 113.42 1.23 Allowed 'Trans proline' 0 N--CA 1.529 3.58 1 C-N-CA 126.123 4.549 . . . . 0.0 117.48 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -94.67 16.25 16.13 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.43 1.092 . . . . 0.0 110.945 170.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -167.08 178.29 5.78 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.032 0.92 . . . . 0.0 111.445 -168.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.47 76.69 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.797 1.284 . . . . 0.0 111.868 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.459 ' HE2' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -76.93 161.32 28.48 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.407 172.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 p -167.01 -50.69 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.856 1.312 . . . . 0.0 113.303 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -75.6 -27.27 58.45 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 114.836 -1.075 . . . . 0.0 113.205 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.9 7.55 9.32 Favored 'General case' 0 C--O 1.258 1.536 0 O-C-N 121.036 -1.04 . . . . 0.0 113.18 -171.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.702 HD11 HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -88.67 158.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 120.613 -1.304 . . . . 0.0 111.336 -174.196 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.591 ' N ' HD12 ' A' ' 30' ' ' ILE . 15.5 t70 -133.26 -63.38 0.76 Allowed 'General case' 0 C--O 1.254 1.338 0 O-C-N 121.546 -0.721 . . . . 0.0 112.917 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.844 ' C ' HD11 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -105.02 142.22 35.19 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.466 1.603 . . . . 0.0 113.279 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.867 ' HA ' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -126.2 124.54 66.03 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.273 172.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.776 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 26.4 tttp -130.58 147.11 52.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.195 1.474 . . . . 0.0 112.558 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.839 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 57.1 m95 -142.95 127.19 17.59 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.348 172.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.77 162.49 17.22 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-O 121.166 0.508 . . . . 0.0 110.811 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 2.6 ttmt -96.34 89.02 4.93 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.554 -0.716 . . . . 0.0 109.759 173.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.712 ' HG1' HG21 ' A' ' 80' ' ' ILE . 44.1 p -49.77 -28.19 5.91 Favored 'General case' 0 C--O 1.251 1.168 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -169.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -55.83 -47.05 77.9 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.112 -0.992 . . . . 0.0 111.286 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -134.67 30.84 3.42 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.563 -0.711 . . . . 0.0 112.049 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 7.0 pttp 48.17 57.64 5.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.611 1.196 . . . . 0.0 110.481 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.73 108.39 14.36 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 122.633 1.206 . . . . 0.0 112.114 -172.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -44.07 130.4 6.03 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 122.102 0.953 . . . . 0.0 112.005 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.813 HD11 ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -120.93 -36.03 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.266 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.0 153.48 33.01 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.574 -0.704 . . . . 0.0 110.639 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.776 ' HG3' ' HG3' ' A' ' 34' ' ' LYS . 1.3 tt0 -164.33 158.61 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 123.872 1.796 . . . . 0.0 113.454 173.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.552 ' HD2' HD12 ' A' ' 62' ' ' LEU . 3.0 m-85 -133.39 129.53 37.5 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.423 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.62 56.77 1.7 Allowed 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.429 -0.794 . . . . 0.0 110.91 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' HD2' ' HB2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER 69.03 173.7 0.29 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.082 1.42 . . . . 0.0 109.198 -173.423 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.69 36.87 0.45 Allowed 'General case' 0 C--O 1.25 1.11 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 1.4 ttpp -120.77 -8.53 9.44 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 171.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -177.92 85.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.149 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 t -126.71 149.79 49.39 Favored 'General case' 0 C--O 1.265 1.89 0 C-N-CA 123.455 0.702 . . . . 0.0 109.604 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.631 ' HE1' ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -152.4 156.83 40.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 124.546 2.117 . . . . 0.0 114.625 -171.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -161.22 100.6 1.22 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.326 173.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.07 -48.08 22.63 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.792 ' HB2' HG23 ' A' ' 59' ' ' THR . 7.7 mtpt -151.6 176.75 11.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.171 0.986 . . . . 0.0 110.782 -173.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -29.64 70.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.806 0.812 . . . . 0.0 112.193 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.792 HG23 ' HB2' ' A' ' 57' ' ' LYS . 9.0 t -50.79 -21.73 1.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.073 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.813 ' CE2' HD11 ' A' ' 44' ' ' ILE . 35.8 m-85 -147.98 99.31 3.06 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 111.41 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.822 ' O ' HD11 ' A' ' 68' ' ' LEU . 1.1 mtmm -98.86 151.2 21.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.897 0.856 . . . . 0.0 111.734 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.642 HD23 HG21 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.51 120.31 38.34 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 123.783 0.833 . . . . 0.0 109.518 172.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 1.114 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 99.1 m-85 -105.49 179.15 4.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 123.385 1.564 . . . . 0.0 113.06 -171.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -72.84 -54.31 9.12 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.168 -175.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -61.99 -9.01 6.04 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.584 -0.698 . . . . 0.0 111.22 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.55 8.69 54.36 Favored Glycine 0 C--O 1.25 1.15 0 O-C-N 120.924 -1.11 . . . . 0.0 112.653 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.547 ' O ' ' HD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.05 153.82 34.03 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 119.326 1.563 . . . . 0.0 110.719 177.408 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.822 HD11 ' O ' ' A' ' 61' ' ' LYS . 9.1 tp -114.57 118.49 33.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.264 1.031 . . . . 0.0 111.232 174.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 1.114 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -90.08 162.93 15.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.969 0.89 . . . . 0.0 111.134 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.763 HD13 HD22 ' A' ' 19' ' ' LEU . 2.4 mt -149.3 123.72 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.248 0.998 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.742 173.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 149.63 21.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.57 -0.706 . . . . 0.0 111.389 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.855 ' C ' HD21 ' A' ' 73' ' ' LEU . 22.2 t60 61.79 110.57 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.425 1.583 . . . . 0.0 110.989 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 1.045 HD11 HD23 ' A' ' 100' ' ' LEU . 3.0 mm? -135.48 70.16 1.43 Allowed 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -170.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.6 -171.03 2.38 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.876 0.846 . . . . 0.0 110.454 171.101 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.637 ' HG1' HD13 ' A' ' 13' ' ' LEU . 18.1 m -52.76 -28.28 21.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.411 1.101 . . . . 0.0 112.28 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -42.33 47.71 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.219 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.0 10.4 14.27 Favored 'General case' 0 C--O 1.254 1.308 0 O-C-N 121.619 -0.675 . . . . 0.0 112.094 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.7 116.57 28.91 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.794 -1.191 . . . . 0.0 111.072 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -143.04 -172.13 3.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.285 1.04 . . . . 0.0 111.529 -173.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.712 HG21 ' HG1' ' A' ' 38' ' ' THR . 1.9 mp -110.51 143.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.606 1.193 . . . . 0.0 110.115 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.697 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -138.29 167.82 21.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.776 0.798 . . . . 0.0 110.724 -171.027 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.837 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 37.6 tttt -157.45 151.59 24.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.63 0.729 . . . . 0.0 110.605 173.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 1.077 HG13 ' CE1' ' A' ' 98' ' ' PHE . 11.4 p -124.69 129.35 73.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 122.482 1.134 . . . . 0.0 111.108 -178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.709 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 58.7 p -127.62 106.35 9.1 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.931 173.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.867 HG22 ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.99 106.64 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 122.207 1.003 . . . . 0.0 110.03 -171.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.709 ' HE1' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -98.8 158.57 15.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.468 1.127 . . . . 0.0 112.62 -167.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.955 ' HB3' HG12 ' A' ' 93' ' ' VAL . 38.6 p-10 -87.97 -164.8 1.16 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 122.144 0.973 . . . . 0.0 110.895 174.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 31' ' ' ASP . 28.5 p -73.93 -32.61 63.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.878 0.847 . . . . 0.0 111.056 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.09 -11.46 39.97 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.666 -0.646 . . . . 0.0 112.036 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.54 14.77 79.46 Favored Glycine 0 C--O 1.25 1.147 0 O-C-N 120.794 -1.191 . . . . 0.0 112.354 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -84.8 155.58 21.74 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.893 -1.357 . . . . 0.0 111.487 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -83.89 76.22 10.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.84 0.828 . . . . 0.0 110.345 172.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.955 HG12 ' HB3' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -60.08 -19.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.886 0.851 . . . . 0.0 112.373 -173.123 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD23 HD12 ' A' ' 21' ' ' ILE . 9.1 tp -163.73 141.28 7.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.636 1.208 . . . . 0.0 110.72 172.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.82 145.55 31.68 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.515 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.837 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -161.81 155.93 22.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.183 0.992 . . . . 0.0 111.264 -174.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.3 mt -119.35 136.34 56.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.177 0.989 . . . . 0.0 110.717 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.077 ' CE1' HG13 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -126.59 167.05 16.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.835 0.826 . . . . 0.0 111.308 -173.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.39 103.1 1.77 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.049 0.928 . . . . 0.0 110.832 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 1.045 HD23 HD11 ' A' ' 73' ' ' LEU . 15.9 tp -73.51 135.78 44.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.183 0.992 . . . . 0.0 111.219 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -126.43 169.04 13.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.13 0.967 . . . . 0.0 111.434 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.961 HG23 ' CD1' ' A' ' 13' ' ' LEU . 6.4 mm -122.83 143.84 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.174 0.988 . . . . 0.0 110.142 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 122.571 1.177 . . . . 0.0 111.872 -171.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.522 0 CA-C-O 122.427 1.108 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.5 169.59 11.72 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.029 0.918 . . . . 0.0 111.365 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.967 HD22 ' CD2' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -115.44 108.77 16.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.332 1.063 . . . . 0.0 110.714 -177.148 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 101.51 4.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.031 0.92 . . . . 0.0 110.953 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.894 HG23 ' HA ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -105.51 125.7 51.29 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.944 -175.599 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -122.37 147.74 45.92 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.348 -0.845 . . . . 0.0 111.753 -172.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.7 170.2 36.57 Favored Glycine 0 C--O 1.239 0.466 0 O-C-N 121.202 -0.936 . . . . 0.0 111.941 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.66 156.02 17.91 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 121.679 -0.895 . . . . 0.0 110.087 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.71 ' H ' HD22 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.98 163.31 28.06 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.06 1.41 . . . . 0.0 110.31 -171.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 37.31 28.77 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.115 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 6.6 tt0 -124.14 -174.39 2.99 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 124.208 1.956 . . . . 0.0 112.601 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.484 ' H ' ' HG2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -146.18 118.23 8.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.111 170.321 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 tp -123.48 165.65 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.781 1.277 . . . . 0.0 112.718 -169.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -122.05 124.37 43.79 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 122.174 0.988 . . . . 0.0 111.714 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.085 HD13 ' CD2' ' A' ' 81' ' ' TYR . 2.9 mt -80.31 102.58 9.62 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.678 0.751 . . . . 0.0 110.339 171.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.39 -155.58 0.39 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.646 0.736 . . . . 0.0 110.969 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 1.004 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 7.0 tp -165.57 154.63 10.81 Favored Pre-proline 0 C--O 1.245 0.83 0 CA-C-O 121.411 0.624 . . . . 0.0 110.954 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 1.004 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 8.4 Cg_endo -45.82 179.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.487 1 C-N-CA 127.002 5.135 . . . . 0.0 114.417 173.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 p -88.57 30.85 0.87 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.431 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.38 150.88 22.15 Favored 'General case' 0 C--O 1.246 0.906 0 O-C-N 121.572 -0.705 . . . . 0.0 110.455 172.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -147.96 146.85 29.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.123 0.963 . . . . 0.0 111.342 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.9 ptm -53.12 161.01 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.946 0.879 . . . . 0.0 110.938 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -169.96 -92.48 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.398 1.094 . . . . 0.0 111.157 -173.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -76.36 0.08 Allowed 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.912 -172.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.6 ' O ' HG21 ' A' ' 88' ' ' THR . 67.4 m-20 -138.0 21.89 2.83 Favored 'General case' 0 C--O 1.253 1.272 0 O-C-N 121.053 -1.029 . . . . 0.0 112.764 -172.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -69.28 127.53 31.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 121.052 -1.03 . . . . 0.0 110.459 173.32 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.711 ' CG ' HG23 ' A' ' 88' ' ' THR . 0.1 OUTLIER -134.03 -28.22 1.37 Allowed 'General case' 0 C--O 1.26 1.643 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.45 149.43 32.6 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.549 -1.344 . . . . 0.0 112.002 -171.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 85' ' ' ILE . 1.4 mt -133.2 156.97 42.59 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 172.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -150.49 136.01 18.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 123.274 1.512 . . . . 0.0 111.96 173.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.794 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.8 m95 -134.74 130.7 36.62 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.657 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 173.7 11.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.824 0.821 . . . . 0.0 111.105 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -90.76 106.81 18.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 1.098 HG22 HG21 ' A' ' 80' ' ' ILE . 2.2 p -39.04 -53.98 1.74 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -169.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -69.44 -52.22 28.82 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.521 -0.737 . . . . 0.0 112.86 -171.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.778 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 1.3 t0 -99.63 15.8 25.52 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 121.234 -0.916 . . . . 0.0 113.378 -171.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.778 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 8.2 pttt 49.57 58.52 5.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 123.073 1.416 . . . . 0.0 110.196 173.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.67 89.33 3.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.963 1.363 . . . . 0.0 111.86 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -50.02 113.45 0.86 Allowed 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.942 0.877 . . . . 0.0 110.957 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -118.49 -9.39 11.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.867 175.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.947 ' HB3' HD22 ' A' ' 62' ' ' LEU . . . -157.14 131.78 8.68 Favored 'General case' 0 C--O 1.254 1.292 0 O-C-N 120.847 -1.158 . . . . 0.0 110.472 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -159.86 146.45 16.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 123.324 1.535 . . . . 0.0 112.962 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.732 ' CE1' HG23 ' A' ' 53' ' ' THR . 1.6 m-85 -122.09 140.57 52.36 Favored 'General case' 0 C--O 1.244 0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.59 172.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -161.92 113.63 1.7 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.454 -0.778 . . . . 0.0 111.248 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm 66.8 154.44 0.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.738 1.256 . . . . 0.0 110.452 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.54 33.4 0.7 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.073 174.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -7.31 15.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 175.13 160.47 0.22 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.29 -178.343 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.732 HG23 ' CE1' ' A' ' 47' ' ' PHE . 60.9 p -127.56 154.63 44.95 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.721 0.772 . . . . 0.0 111.144 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -112.48 104.72 12.84 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.788 0.804 . . . . 0.0 111.28 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.63 118.16 2.45 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.939 0.876 . . . . 0.0 111.008 174.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -69.45 -53.38 19.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.923 0.868 . . . . 0.0 110.785 177.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.669 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -148.65 169.63 19.94 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.446 0.641 . . . . 0.0 110.643 -175.13 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.05 -18.59 63.3 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.503 -0.748 . . . . 0.0 112.679 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.693 ' O ' HG22 ' A' ' 70' ' ' ILE . 9.3 t -51.71 -23.86 5.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.846 0.831 . . . . 0.0 110.766 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.546 ' CD1' HG12 ' A' ' 70' ' ' ILE . 31.2 m-85 -148.41 83.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.707 0.765 . . . . 0.0 110.812 172.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.605 ' HE2' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -113.86 152.1 31.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.283 1.516 . . . . 0.0 112.028 -172.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.947 HD22 ' HB3' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -98.9 150.42 21.93 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.812 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.605 ' HE1' ' HE2' ' A' ' 61' ' ' LYS . 17.7 m-30 -120.08 158.15 27.46 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 110.5 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -26.59 68.31 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 121.824 -0.547 . . . . 0.0 111.518 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -93.6 25.82 3.33 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.26 -0.9 . . . . 0.0 111.951 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.79 4.2 65.75 Favored Glycine 0 C--O 1.254 1.37 0 O-C-N 121.168 -0.957 . . . . 0.0 112.851 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -90.85 134.57 34.35 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.252 1.526 . . . . 0.0 111.699 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -100.98 150.38 22.95 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.554 171.218 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.871 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -131.24 142.7 50.2 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.063 -1.023 . . . . 0.0 110.968 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 59' ' ' THR . 2.8 mt -125.85 117.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.801 0.81 . . . . 0.0 110.658 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -87.7 149.84 23.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.827 -0.546 . . . . 0.0 110.662 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 62.07 117.62 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.802 1.286 . . . . 0.0 110.491 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.838 HD23 HD23 ' A' ' 100' ' ' LEU . 3.3 tm? -143.43 81.34 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.179 -0.951 . . . . 0.0 112.16 -168.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.42 -170.56 1.75 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.755 1.264 . . . . 0.0 110.261 170.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.428 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.8 m -47.87 -28.58 2.7 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.731 171.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.17 -47.63 14.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.789 0.804 . . . . 0.0 111.265 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.84 2.66 22.31 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.8 -0.562 . . . . 0.0 112.115 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.717 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -82.78 113.48 20.45 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.749 -1.219 . . . . 0.0 111.405 175.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 9.3 m-20 -139.28 167.51 21.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.893 0.854 . . . . 0.0 111.195 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 1.098 HG21 HG22 ' A' ' 38' ' ' THR . 8.1 mt -86.04 148.65 4.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.533 0.682 . . . . 0.0 110.668 173.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 1.085 ' CD2' HD13 ' A' ' 19' ' ' LEU . 46.9 m-85 -141.87 155.95 45.52 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 112.066 -172.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -144.46 128.54 17.59 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.714 177.386 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 1.033 HG23 ' CD1' ' A' ' 85' ' ' ILE . 4.2 p -108.91 116.34 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.887 1.327 . . . . 0.0 111.717 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -116.03 123.15 47.26 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 123.814 0.846 . . . . 0.0 109.911 172.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -130.72 117.85 40.08 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -173.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -114.47 -178.97 3.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 123.3 1.524 . . . . 0.0 113.541 -166.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.716 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 1.5 p30 -98.95 -176.99 3.49 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 122.473 1.13 . . . . 0.0 111.091 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.711 HG23 ' CG ' ' A' ' 31' ' ' ASP . 26.3 p -64.34 -32.58 74.24 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.416 -173.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -95.15 39.5 1.11 Allowed 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.062 -1.024 . . . . 0.0 112.713 -171.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.24 32.17 57.03 Favored Glycine 0 C--O 1.24 0.491 0 O-C-N 121.278 -0.889 . . . . 0.0 111.544 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.716 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 4.0 mmtt -87.47 -170.21 2.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.448 1.594 . . . . 0.0 111.454 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 108.74 5.28 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.458 170.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.404 HG11 ' OD2' ' A' ' 87' ' ' ASP . 34.4 m -98.54 -35.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.452 1.12 . . . . 0.0 112.333 -172.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.965 HD22 HD11 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -146.08 147.74 31.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.177 -174.029 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.8 pt-20 -157.67 145.0 18.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.788 0.804 . . . . 0.0 110.886 -174.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.6 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -154.69 167.03 31.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.09 0.948 . . . . 0.0 111.289 -173.808 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.698 ' C ' ' HD1' ' A' ' 98' ' ' PHE . 3.2 mt -124.99 141.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 122.397 1.094 . . . . 0.0 111.061 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.967 ' CD2' HD22 ' A' ' 7' ' ' LEU . 2.8 m-85 -137.61 176.85 8.34 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.514 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.524 ' OD1' HG12 ' A' ' 80' ' ' ILE . 3.3 t0 -167.32 111.28 0.7 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.144 -0.973 . . . . 0.0 111.407 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.923 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -85.5 120.43 26.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.286 1.041 . . . . 0.0 110.994 176.6 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.717 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 51.0 mttt -121.62 166.58 14.02 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 123.501 1.619 . . . . 0.0 112.574 -173.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.685 HG23 HD21 ' A' ' 13' ' ' LEU . 1.2 mm -134.81 147.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.463 169.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.764 0 CA-C-O 122.547 1.165 . . . . 0.0 111.852 -171.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.237 0.425 0 CA-C-O 123.576 1.655 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.63 174.35 6.12 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.387 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.68 HD22 ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -134.54 110.28 9.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.726 -174.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.22 91.93 0.03 OUTLIER 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.782 0.801 . . . . 0.0 110.887 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.58 118.91 37.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.703 0.763 . . . . 0.0 110.322 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -110.69 158.8 18.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.171 0.986 . . . . 0.0 112.27 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.35 146.07 12.06 Favored Glycine 0 C--O 1.243 0.713 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.678 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . . . -92.76 156.11 17.23 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.654 -0.91 . . . . 0.0 110.602 173.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.734 ' CD1' HG23 ' A' ' 102' ' ' ILE . 2.2 mp -64.95 135.4 55.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.727 1.251 . . . . 0.0 111.365 -173.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.67 37.6 30.0 Favored Glycine 0 C--O 1.26 1.769 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.235 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.745 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -133.19 131.0 39.87 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 119.537 1.669 . . . . 0.0 111.912 -171.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.63 140.12 35.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.867 0.841 . . . . 0.0 110.359 173.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 HD12 HD13 ' A' ' 100' ' ' LEU . 2.8 pt -142.36 -179.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 123.449 1.595 . . . . 0.0 112.877 -170.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -123.56 150.83 43.57 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.037 1.399 . . . . 0.0 112.268 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.093 HD12 ' CZ3' ' A' ' 35' ' ' TRP . 13.1 mt -103.45 119.56 39.12 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.442 172.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.55 117.44 34.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.487 1.613 . . . . 0.0 111.042 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -81.13 164.42 50.42 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.601 -177.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.901 ' CG ' HD23 ' A' ' 94' ' ' LEU . 11.1 Cg_endo -48.51 -177.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.382 1 C-N-CA 127.522 5.482 . . . . 0.0 115.022 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -88.97 31.07 0.88 Allowed 'General case' 0 C--O 1.244 0.802 0 CA-C-N 114.484 -1.235 . . . . 0.0 112.145 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -102.23 149.99 23.75 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.52 -0.738 . . . . 0.0 110.594 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.64 124.06 27.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.83 . . . . 0.0 111.113 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.546 ' HE2' HG21 ' A' ' 30' ' ' ILE . 12.3 ptm -79.6 167.99 19.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.86 0.838 . . . . 0.0 111.039 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 t -172.2 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.493 1.139 . . . . 0.0 111.18 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -87.92 -27.41 22.16 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.704 -172.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -108.69 -29.4 8.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.552 -1.342 . . . . 0.0 113.843 -171.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.546 HG21 ' HE2' ' A' ' 26' ' ' MET . 0.6 OUTLIER -85.88 144.12 10.16 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 122.0 -0.438 . . . . 0.0 110.63 -176.003 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.87 -37.01 0.82 Allowed 'General case' 0 C--O 1.258 1.549 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -172.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.803 ' O ' HD12 ' A' ' 33' ' ' ILE . 92.6 m-20 -113.71 157.17 22.55 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.284 1.516 . . . . 0.0 111.677 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.981 HG22 HG22 ' A' ' 85' ' ' ILE . 1.1 mm -147.2 123.81 3.04 Favored 'Isoleucine or valine' 0 C--O 1.259 1.553 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.112 -174.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' CE ' ' HG2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -130.4 138.94 50.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.93 1.824 . . . . 0.0 111.87 178.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 1.093 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 51.0 m95 -130.35 145.52 51.8 Favored 'General case' 0 C--O 1.25 1.121 0 C-N-CA 124.672 1.189 . . . . 0.0 109.928 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.55 163.35 33.15 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 121.332 -0.855 . . . . 0.0 110.736 -174.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.952 ' HG2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -100.79 97.26 7.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.585 1.183 . . . . 0.0 109.325 176.245 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.645 HG22 HG21 ' A' ' 80' ' ' ILE . 1.2 p -47.43 -30.62 3.48 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.82 -171.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -51.16 -41.4 60.13 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 121.775 -0.578 . . . . 0.0 112.406 -171.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -152.99 37.66 0.5 Allowed 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.18 -0.95 . . . . 0.0 112.324 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.653 ' HD2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 58.34 71.86 0.56 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.995 1.379 . . . . 0.0 111.184 172.252 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.952 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 10.4 tmtt? -129.88 85.06 2.26 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 122.258 1.028 . . . . 0.0 112.498 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.908 ' HB2' ' NE2' ' A' ' 46' ' ' GLN . 5.1 pttt -45.68 101.54 0.03 OUTLIER 'General case' 0 C--O 1.239 0.514 0 CA-C-O 122.617 1.198 . . . . 0.0 110.719 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.557 HG23 ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -91.33 -48.68 13.8 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.848 -172.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.995 ' HB3' HD12 ' A' ' 62' ' ' LEU . . . -125.33 142.13 51.67 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 121.506 -0.746 . . . . 0.0 110.566 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.908 ' NE2' ' HB2' ' A' ' 43' ' ' LYS . 11.0 mt-30 -156.15 156.14 33.71 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.828 1.299 . . . . 0.0 112.565 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CE1' HG22 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.92 112.93 12.85 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 123.59 0.756 . . . . 0.0 110.721 174.669 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HG2' ' CE ' ' A' ' 34' ' ' LYS . 41.1 mtp180 -139.16 101.77 4.35 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.751 -0.593 . . . . 0.0 111.352 -177.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.29 148.74 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.152 0.977 . . . . 0.0 110.685 175.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -89.32 40.83 1.0 Allowed 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.861 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.571 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.03 -10.9 9.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 173.352 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.571 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 43.4 tt0 169.11 97.72 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.911 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.462 HG22 ' CE1' ' A' ' 47' ' ' PHE . 8.6 p -78.74 175.11 10.76 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.608 0.718 . . . . 0.0 111.136 174.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -118.48 94.41 4.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.052 0.929 . . . . 0.0 110.902 173.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -164.94 57.99 0.13 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.961 0.886 . . . . 0.0 110.876 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -90.69 32.67 0.96 Allowed 'General case' 0 C--O 1.249 1.071 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.683 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.42 118.81 0.55 Allowed 'General case' 0 C--O 1.246 0.903 0 O-C-N 121.058 -1.026 . . . . 0.0 110.75 -176.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.77 -11.77 60.98 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 70' ' ' ILE . 8.8 t -58.15 -26.1 62.27 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.301 -0.874 . . . . 0.0 110.649 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.604 ' CE1' HG22 ' A' ' 70' ' ' ILE . 23.0 m-85 -150.01 93.25 1.99 Allowed 'General case' 0 C--O 1.248 0.976 0 O-C-N 121.837 -0.539 . . . . 0.0 110.536 171.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.688 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 6.7 tttp -125.79 135.17 51.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.999 0.904 . . . . 0.0 112.271 -172.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.995 HD12 ' HB3' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -80.34 151.19 29.59 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.156 0.583 . . . . 0.0 110.847 176.605 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.688 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 15.5 m-85 -109.88 174.13 6.01 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 121.165 -0.96 . . . . 0.0 111.299 174.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -65.86 -46.23 79.22 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 121.495 -0.753 . . . . 0.0 110.569 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -64.07 -20.13 65.73 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.448 -0.783 . . . . 0.0 110.385 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.68 ' O ' HG23 ' A' ' 21' ' ' ILE . . . 99.67 24.03 10.4 Favored Glycine 0 C--O 1.25 1.098 0 O-C-N 121.556 -0.715 . . . . 0.0 113.075 171.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.495 HG23 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -87.53 150.37 23.77 Favored 'General case' 0 C--O 1.247 0.971 0 O-C-N 120.857 -1.378 . . . . 0.0 110.731 173.043 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.939 HD21 HD11 ' A' ' 19' ' ' LEU . 7.7 tt -108.24 109.54 20.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.014 0.912 . . . . 0.0 111.613 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 11.8 ttmt -80.95 142.81 33.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.602 0.715 . . . . 0.0 110.963 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.615 HG13 HD22 ' A' ' 68' ' ' LEU . 2.3 mt -126.69 115.97 43.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-O 121.667 0.746 . . . . 0.0 110.624 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' HZ3' ' HG3' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -81.41 135.15 35.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.64 0.733 . . . . 0.0 111.39 -176.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t60 61.34 121.66 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.278 1.513 . . . . 0.0 111.362 -173.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.745 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 3.1 tm? -139.09 85.52 2.07 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.979 -1.076 . . . . 0.0 113.107 -178.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -107.28 -171.71 1.93 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.673 1.225 . . . . 0.0 109.834 169.153 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.437 ' HA ' HG13 ' A' ' 102' ' ' ILE . 88.3 m -47.18 -25.56 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.63 170.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.458 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -77.95 -49.05 14.89 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.833 0.825 . . . . 0.0 111.549 179.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.416 ' HB2' ' HA ' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -87.67 13.72 9.86 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.516 -0.74 . . . . 0.0 111.619 -176.623 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.56 ' HG3' HG12 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -93.21 101.49 13.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.317 1.056 . . . . 0.0 111.505 174.414 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.19 174.18 7.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.283 1.039 . . . . 0.0 111.183 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.645 HG21 HG22 ' A' ' 38' ' ' THR . 2.8 mp -96.54 151.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.91 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.881 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 73.8 m-85 -141.08 165.16 28.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.555 1.169 . . . . 0.0 111.423 -171.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 20.3 ttpt -151.58 133.82 15.24 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.697 173.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG11 ' HB2' ' A' ' 96' ' ' LYS . 2.9 p -108.27 113.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.884 1.326 . . . . 0.0 110.94 -173.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.467 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 2.3 p -116.36 111.29 19.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.238 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.981 HG22 HG22 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -118.42 123.22 71.25 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -173.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.639 ' HA ' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -113.82 180.0 3.8 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 120.989 -1.07 . . . . 0.0 111.816 -167.713 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.752 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -97.89 -171.29 2.14 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.092 0.949 . . . . 0.0 110.862 -177.255 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -24.53 56.36 Favored 'General case' 0 C--O 1.252 1.229 0 O-C-N 121.403 -0.81 . . . . 0.0 112.133 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -112.44 30.14 7.34 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 120.951 -1.093 . . . . 0.0 112.154 -173.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.78 18.07 69.96 Favored Glycine 0 C--O 1.25 1.119 0 O-C-N 121.282 -0.886 . . . . 0.0 113.126 173.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.752 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -90.25 123.12 33.77 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.121 -1.223 . . . . 0.0 111.472 -177.351 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.31 99.39 0.03 OUTLIER 'General case' 0 C--O 1.243 0.724 0 O-C-N 121.511 -0.743 . . . . 0.0 110.736 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.706 HG21 ' O ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -77.55 -50.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 123.209 1.48 . . . . 0.0 110.468 -179.516 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.901 HD23 ' CG ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -152.12 145.44 24.74 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.994 175.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.404 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -129.63 153.46 48.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 -178.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.652 ' HB2' HG11 ' A' ' 83' ' ' VAL . 4.5 mmmt -146.5 163.75 34.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.478 ' O ' ' HD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -126.18 138.54 54.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.749 0.785 . . . . 0.0 110.904 -178.424 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.68 ' CD1' HD22 ' A' ' 7' ' ' LEU . 20.8 m-30 -134.16 172.08 13.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.161 0.981 . . . . 0.0 111.744 -172.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.444 ' HB3' HG22 ' A' ' 80' ' ' ILE . 1.5 p30 -158.36 111.71 2.41 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.487 0.66 . . . . 0.0 111.742 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.881 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.31 141.25 47.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.868 0.842 . . . . 0.0 110.962 173.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.441 ' C ' ' HG3' ' A' ' 78' ' ' GLN . 28.0 mttp -130.02 -176.73 4.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 123.193 1.473 . . . . 0.0 111.423 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.734 HG23 ' CD1' ' A' ' 13' ' ' LEU . 5.0 mm -142.82 140.36 27.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.832 170.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.258 -171.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.718 ' O ' HD11 ' A' ' 97' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.5 0 CA-C-O 122.386 1.089 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 5' ' ' ASN . . . 179.81 167.75 1.21 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.113 0.958 . . . . 0.0 111.236 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD11 ' CE2' ' A' ' 98' ' ' PHE . 10.1 mt -142.58 78.94 1.64 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.205 1.002 . . . . 0.0 110.689 173.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -47.19 104.26 0.05 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.162 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.905 HG23 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -112.75 159.62 18.77 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.906 -0.496 . . . . 0.0 110.393 176.585 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -147.92 159.58 43.71 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 121.744 -0.597 . . . . 0.0 110.539 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.79 -170.45 24.38 Favored Glycine 0 C--O 1.239 0.413 0 CA-C-O 123.074 1.374 . . . . 0.0 112.731 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB2' ' OE1' ' A' ' 15' ' ' GLN . . . -124.97 170.79 10.77 Favored 'General case' 0 C--O 1.242 0.664 0 O-C-N 121.543 -0.975 . . . . 0.0 110.688 173.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.085 ' CD1' HD11 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -89.96 134.33 34.29 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.592 1.663 . . . . 0.0 113.415 -172.556 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 47.04 7.06 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -172.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.523 ' OE1' ' HB2' ' A' ' 12' ' ' ALA . 1.2 tt0 -157.87 142.77 16.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 124.831 2.253 . . . . 0.0 116.164 -167.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 158.34 21.9 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.045 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 1.053 HG22 HD23 ' A' ' 100' ' ' LEU . 8.7 tt -160.32 156.13 3.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.958 0.885 . . . . 0.0 110.811 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -116.74 121.24 41.03 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.237 1.018 . . . . 0.0 111.513 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.962 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 6.5 mt -79.58 107.69 12.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.934 0.874 . . . . 0.0 110.119 172.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -151.48 0.09 Allowed 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -171.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.909 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -165.74 150.39 7.63 Favored Pre-proline 0 C--N 1.318 -0.767 0 O-C-N 121.484 -0.76 . . . . 0.0 110.363 -172.341 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.909 ' HD2' HG12 ' A' ' 21' ' ' ILE . 10.5 Cg_exo -40.49 177.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.439 1 C-N-CA 126.941 5.094 . . . . 0.0 116.143 177.315 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.59 31.6 0.75 Allowed 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.691 -172.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.083 ' HD2' HD11 ' A' ' 94' ' ' LEU . 22.7 m-85 -107.28 164.8 11.87 Favored 'General case' 0 C--O 1.244 0.815 0 O-C-N 121.479 -0.763 . . . . 0.0 110.557 171.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -139.69 114.09 9.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.973 0.892 . . . . 0.0 111.055 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.981 ' HG2' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -80.3 171.38 15.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.866 0.841 . . . . 0.0 110.826 177.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -97.77 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.093 0.949 . . . . 0.0 110.736 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.33 -27.25 24.42 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.049 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -83.63 -28.02 28.73 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.235 -0.916 . . . . 0.0 113.107 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.981 HD11 ' HG2' ' A' ' 26' ' ' MET . 1.9 mt -86.6 142.0 13.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 -175.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.76 -30.25 4.18 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -171.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -133.19 168.32 18.76 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.163 1.459 . . . . 0.0 111.87 -172.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.984 HG22 HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -148.41 153.45 11.41 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.549 -173.214 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.686 ' HZ1' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -158.36 144.4 17.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.739 1.733 . . . . 0.0 112.593 172.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.962 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 32.7 m95 -137.25 109.28 7.19 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.162 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.07 167.69 9.87 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.167 0.984 . . . . 0.0 110.796 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.549 ' HG3' HG22 ' A' ' 44' ' ' ILE . 4.0 mttt -94.8 -178.03 4.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.412 1.101 . . . . 0.0 111.107 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 1.013 HG23 ' HB ' ' A' ' 80' ' ' ILE . 39.4 p -45.63 -120.62 0.0 OUTLIER 'General case' 0 C--O 1.256 1.443 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.543 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 1.3 m -74.49 -22.59 58.99 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 119.775 -1.828 . . . . 0.0 110.44 -172.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.77 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -61.94 -36.34 81.12 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.277 172.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.77 ' HG3' ' C ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 49.56 45.19 24.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.76 1.267 . . . . 0.0 110.185 -178.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.802 ' HB3' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -118.72 111.58 18.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.625 1.202 . . . . 0.0 110.965 -172.546 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.686 ' HD3' ' HZ1' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -49.57 95.9 0.01 OUTLIER 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.661 -173.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.549 HG22 ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.35 -31.54 52.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 121.697 -0.627 . . . . 0.0 110.669 171.214 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . . . -140.45 135.89 32.45 Favored 'General case' 0 C--O 1.259 1.559 0 O-C-N 121.75 -0.594 . . . . 0.0 110.573 -174.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.593 ' HB3' ' HD2' ' A' ' 54' ' ' PHE . 4.5 tt0 -159.2 156.47 28.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 123.808 1.766 . . . . 0.0 113.824 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.546 ' HD1' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -120.51 135.0 55.2 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.431 172.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.546 ' N ' ' HD1' ' A' ' 47' ' ' PHE . 18.1 ttt180 -162.75 114.18 1.53 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.456 0.646 . . . . 0.0 111.129 -177.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 tptm 68.13 146.65 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.966 0.888 . . . . 0.0 110.607 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -90.26 35.93 0.87 Allowed 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.636 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -120.08 -8.4 9.75 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 178.81 145.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.044 -174.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 p -121.94 168.83 11.44 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.644 0.735 . . . . 0.0 111.048 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.593 ' HD2' ' HB3' ' A' ' 46' ' ' GLN . 3.0 t80 -109.45 97.16 6.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.642 0.734 . . . . 0.0 110.975 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.31 92.42 0.73 Allowed 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -75.51 -31.85 60.31 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.666 -0.647 . . . . 0.0 111.565 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -150.09 158.39 44.12 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.433 -0.792 . . . . 0.0 110.896 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -22.12 60.97 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.566 -0.709 . . . . 0.0 112.707 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.0 m -48.52 -23.04 0.85 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.055 0.455 . . . . 0.0 110.325 174.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.628 ' HE2' ' CE2' ' A' ' 81' ' ' TYR . 22.8 m-85 -150.97 83.88 1.33 Allowed 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 172.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.73 ' HB3' ' HE1' ' A' ' 63' ' ' PHE . 1.4 tttt -94.29 158.78 15.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.918 1.342 . . . . 0.0 112.482 -172.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.917 HD13 HG23 ' A' ' 33' ' ' ILE . 15.7 tp -117.04 145.44 43.71 Favored 'General case' 0 C--O 1.254 1.337 0 C-N-CA 124.126 0.97 . . . . 0.0 109.865 172.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.76 ' HD1' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -126.89 168.44 14.49 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.959 -1.088 . . . . 0.0 111.294 178.099 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.509 ' O ' ' HE3' ' A' ' 26' ' ' MET . 0.2 OUTLIER -68.95 -33.22 73.35 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.62 0.724 . . . . 0.0 111.148 -176.141 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -84.64 9.13 14.6 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.533 -0.729 . . . . 0.0 112.102 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.57 17.15 64.58 Favored Glycine 0 C--O 1.252 1.219 0 O-C-N 120.857 -1.152 . . . . 0.0 112.851 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -90.22 149.72 22.28 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.842 -1.387 . . . . 0.0 111.081 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.621 HD11 ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -129.25 115.81 18.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.758 0.79 . . . . 0.0 111.101 173.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 tttt -104.26 105.92 16.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.913 -0.492 . . . . 0.0 111.884 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.581 HG21 ' HA ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -99.71 118.74 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.547 1.165 . . . . 0.0 108.667 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -91.24 136.15 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 118.65 2.833 . . . . 0.0 118.65 -165.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.486 ' O ' HD22 ' A' ' 73' ' ' LEU . 55.8 t-80 35.16 85.42 0.01 OUTLIER 'General case' 0 C--O 1.242 0.666 0 C-N-CA 127.592 2.357 . . . . 0.0 115.014 166.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.889 ' HB2' ' CG ' ' A' ' 77' ' ' ASP . 61.4 mt -158.29 169.87 23.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 125.378 2.513 . . . . 0.0 114.073 174.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.861 ' HA ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 -153.86 0.33 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.295 -171.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.515 ' N ' HD13 ' A' ' 13' ' ' LEU . 67.8 m -48.92 -23.06 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.799 -1.188 . . . . 0.0 112.955 172.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -46.87 88.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.502 1.144 . . . . 0.0 111.962 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.889 ' CG ' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -69.37 -11.36 60.76 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.056 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.531 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -79.97 115.94 19.83 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.261 -0.9 . . . . 0.0 110.77 177.585 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.481 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 8.7 m-20 -153.55 173.08 16.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.513 1.149 . . . . 0.0 111.151 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 1.013 ' HB ' HG23 ' A' ' 38' ' ' THR . 1.0 OUTLIER -96.32 131.91 41.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-O 123.381 1.562 . . . . 0.0 110.607 173.019 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.628 ' CE2' ' HE2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -126.36 167.19 15.87 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.322 1.049 . . . . 0.0 110.631 -173.095 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.783 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 3.0 ttpm? -153.37 130.17 10.89 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.167 -0.958 . . . . 0.0 110.705 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.834 HG13 ' CE1' ' A' ' 98' ' ' PHE . 12.2 p -103.23 127.53 57.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 122.687 1.232 . . . . 0.0 111.457 -173.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -133.45 107.46 8.06 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 123.643 0.777 . . . . 0.0 110.423 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.984 HG22 HG22 ' A' ' 33' ' ' ILE . 2.0 mm -116.19 119.55 62.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.559 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.033 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.532 ' O ' HG22 ' A' ' 30' ' ' ILE . 4.6 m-85 -111.34 162.96 14.48 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 120.212 -1.555 . . . . 0.0 112.922 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.761 ' HB3' HG12 ' A' ' 93' ' ' VAL . 10.3 p-10 -88.54 -168.96 2.36 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.793 1.282 . . . . 0.0 111.263 174.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -30.21 71.27 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.46 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -89.83 16.33 8.28 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.44 -0.787 . . . . 0.0 112.414 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 16.37 70.39 Favored Glycine 0 C--O 1.252 1.228 0 O-C-N 120.887 -1.133 . . . . 0.0 112.459 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.19 143.16 27.21 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.018 -1.283 . . . . 0.0 111.282 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -78.72 84.51 4.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.262 1.03 . . . . 0.0 110.573 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.761 HG12 ' HB3' ' A' ' 87' ' ' ASP . 2.4 m -70.34 -18.6 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.742 0.782 . . . . 0.0 112.536 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 1.083 HD11 ' HD2' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -152.22 146.76 25.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.897 0.856 . . . . 0.0 110.88 174.148 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -154.07 152.34 30.35 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.352 0.596 . . . . 0.0 110.736 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.783 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -173.21 162.03 4.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.357 1.075 . . . . 0.0 111.297 -176.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.718 HD11 ' O ' ' A' ' 5' ' ' ASN . 5.1 mt -114.26 141.03 32.03 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.755 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.834 ' CE1' HG13 ' A' ' 83' ' ' VAL . 6.3 m-85 -136.53 167.32 21.59 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.455 -0.778 . . . . 0.0 111.197 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -161.56 87.39 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.031 0.92 . . . . 0.0 111.038 -173.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 1.053 HD23 HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.9 103.56 0.6 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.143 0.973 . . . . 0.0 111.111 173.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -101.98 161.72 13.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 123.264 1.507 . . . . 0.0 112.036 176.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 1.085 HD11 ' CD1' ' A' ' 13' ' ' LEU . 1.2 mm -127.6 153.33 36.73 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.623 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.318 -0.768 0 CA-C-O 122.724 1.25 . . . . 0.0 111.794 -171.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 C--O 1.238 0.485 0 CA-C-O 122.861 1.315 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.89 173.45 6.32 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 122.76 1.267 . . . . 0.0 111.535 -175.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.9 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 11.2 mt -127.85 94.67 4.0 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.541 1.162 . . . . 0.0 111.19 -173.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.44 107.55 0.15 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.054 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.61 141.97 45.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.724 0.773 . . . . 0.0 110.964 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -131.38 159.78 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.05 0.929 . . . . 0.0 111.085 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.86 -153.3 6.35 Favored Glycine 0 C--O 1.239 0.452 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.783 ' HA ' HG22 ' A' ' 102' ' ' ILE . . . -161.63 146.29 13.15 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 110.766 173.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.921 HD11 ' N ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -50.64 118.65 3.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 123.401 1.572 . . . . 0.0 110.64 174.036 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.921 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 90.18 43.98 4.84 Favored Glycine 0 C--O 1.245 0.84 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 174.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.717 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 2.1 tp60 -130.15 169.88 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 123.561 1.648 . . . . 0.0 112.951 -171.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.463 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -126.43 138.97 53.59 Favored 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 172.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.472 HG23 ' CD2' ' A' ' 100' ' ' LEU . 4.8 tp -147.49 172.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.579 1.18 . . . . 0.0 112.295 -171.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -131.33 138.73 49.33 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.094 0.95 . . . . 0.0 111.738 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.05 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.6 OUTLIER -87.11 95.21 9.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.576 0.703 . . . . 0.0 110.227 172.224 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.31 108.84 20.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.118 1.437 . . . . 0.0 111.603 -171.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.932 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 11.0 tp -70.26 154.79 94.28 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.035 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.932 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 10.4 Cg_exo -41.65 -175.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.386 1 C-N-CA 127.318 5.345 . . . . 0.0 116.346 173.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 29.78 0.74 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.717 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -104.85 122.71 46.32 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.435 0.636 . . . . 0.0 110.594 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.21 143.54 50.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.038 0.923 . . . . 0.0 111.398 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.457 ' HB2' ' CG2' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -71.82 154.54 41.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.924 0.869 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.8 t -132.94 -122.7 0.18 Allowed 'General case' 0 C--O 1.254 1.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 -175.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -88.12 -27.43 21.92 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 120.708 -1.245 . . . . 0.0 112.045 -173.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.7 -26.81 20.48 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.203 -0.936 . . . . 0.0 113.113 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.515 ' CD1' HG22 ' A' ' 93' ' ' VAL . 30.7 mt -87.52 161.67 2.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 CA-C-O 121.125 0.488 . . . . 0.0 110.817 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' HB2' HG23 ' A' ' 88' ' ' THR . 0.4 OUTLIER -150.07 -36.68 0.15 Allowed 'General case' 0 C--O 1.262 1.762 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -103.0 158.76 16.07 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.197 -1.564 . . . . 0.0 112.034 -171.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.071 HG23 HD13 ' A' ' 62' ' ' LEU . 5.2 mt -140.07 157.53 25.61 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.651 173.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -158.72 141.14 14.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.535 1.636 . . . . 0.0 112.228 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 1.05 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 38.7 m95 -133.36 120.84 21.5 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.011 172.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.6 150.97 22.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.67 0.748 . . . . 0.0 110.689 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.952 ' HB3' HG22 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -102.75 145.27 29.98 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.928 -0.482 . . . . 0.0 109.958 176.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.862 HG22 ' CG2' ' A' ' 80' ' ' ILE . 7.8 p -76.39 -37.12 57.62 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 121.354 -0.841 . . . . 0.0 111.701 -171.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -64.61 0.78 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.883 0.849 . . . . 0.0 111.143 -173.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -11.03 40.55 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.258 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 59.12 62.44 1.85 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.821 1.296 . . . . 0.0 110.471 -173.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -152.03 128.08 10.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 123.199 1.476 . . . . 0.0 112.964 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.92 97.89 0.01 OUTLIER 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.109 0.964 . . . . 0.0 112.544 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.952 HG22 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -68.11 -28.42 40.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.91 0 O-C-N 121.852 -0.53 . . . . 0.0 111.329 172.211 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . . . -144.39 146.83 32.74 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.231 -0.918 . . . . 0.0 110.768 -177.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -168.56 159.69 10.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 123.512 1.625 . . . . 0.0 112.834 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -123.51 134.52 53.87 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.821 175.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -167.98 126.02 1.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.973 0.892 . . . . 0.0 111.53 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' CE ' ' HB2' ' A' ' 51' ' ' LYS . 1.1 tttp 69.09 142.46 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.006 0.908 . . . . 0.0 110.999 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -90.59 36.98 0.9 Allowed 'General case' 0 C--O 1.251 1.151 0 O-C-N 121.822 -0.549 . . . . 0.0 111.665 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.531 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -120.24 -9.34 9.55 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 173.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER 172.14 150.7 0.06 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.211 -1.359 . . . . 0.0 110.949 -176.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.459 HG22 ' HE1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.68 -172.02 2.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.676 0.751 . . . . 0.0 111.038 -174.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.501 ' HD2' ' HA ' ' A' ' 45' ' ' ALA . 43.9 t80 -127.0 94.6 4.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.905 0.859 . . . . 0.0 111.246 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -159.34 62.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.252 1.025 . . . . 0.0 110.612 173.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -26.55 47.14 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.696 -172.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.552 ' HB2' HG23 ' A' ' 59' ' ' THR . 11.2 mmmt -149.31 168.03 24.45 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.94 -1.1 . . . . 0.0 111.292 -173.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.26 -10.56 56.36 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.667 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.552 HG23 ' HB2' ' A' ' 57' ' ' LYS . 10.2 t -65.12 -21.33 66.78 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.266 -0.897 . . . . 0.0 110.916 173.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.876 ' HE1' ' HE2' ' A' ' 81' ' ' TYR . 21.9 m-85 -150.09 92.42 1.88 Allowed 'General case' 0 C--O 1.245 0.824 0 O-C-N 121.596 -0.69 . . . . 0.0 110.754 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -110.77 154.55 23.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.698 1.237 . . . . 0.0 111.858 -173.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 1.071 HD13 HG23 ' A' ' 33' ' ' ILE . 4.9 tp -108.25 150.03 27.82 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.741 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.79 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -128.85 177.43 7.09 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.176 -0.952 . . . . 0.0 111.361 177.325 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -72.6 -40.97 66.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.768 0.794 . . . . 0.0 111.423 -173.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -87.22 15.39 6.32 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.936 -0.477 . . . . 0.0 112.182 -173.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.89 22.94 67.83 Favored Glycine 0 C--O 1.251 1.175 0 O-C-N 121.0 -1.063 . . . . 0.0 112.409 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -90.59 141.14 29.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 120.951 -1.323 . . . . 0.0 111.132 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.883 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.5 tt -107.74 153.07 23.5 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.399 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.79 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 tmmt? -134.27 114.16 12.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.744 HD12 ' HH ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -108.68 103.05 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 122.229 1.014 . . . . 0.0 110.736 -178.147 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -89.3 140.69 29.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 -173.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 61.68 123.27 0.01 OUTLIER 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.95 1.357 . . . . 0.0 110.822 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.774 HD23 HD13 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -139.82 163.35 32.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.751 1.263 . . . . 0.0 109.319 -171.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.835 ' HB3' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -153.58 -148.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.446 168.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.457 ' HA ' HG13 ' A' ' 102' ' ' ILE . 96.2 m -82.0 -29.96 31.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 123.7 1.714 . . . . 0.0 109.431 164.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -54.05 12.58 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.213 172.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.501 ' CB ' ' HA ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.11 -0.87 10.59 Favored 'General case' 0 C--O 1.254 1.341 0 O-C-N 121.016 -1.052 . . . . 0.0 110.604 -177.028 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.536 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -87.58 137.85 31.98 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.691 -1.256 . . . . 0.0 110.625 171.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-20 -158.49 167.5 29.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.272 1.034 . . . . 0.0 111.769 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.862 ' CG2' HG22 ' A' ' 38' ' ' THR . 2.4 mp -92.22 143.53 11.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 O-C-N 121.703 -0.623 . . . . 0.0 110.044 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.876 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 84.1 m-85 -134.07 169.38 17.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.988 0.899 . . . . 0.0 110.826 -171.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.8 128.03 12.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.887 0.851 . . . . 0.0 110.808 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.723 HG12 ' HE1' ' A' ' 98' ' ' PHE . 3.7 p -104.99 115.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.572 1.177 . . . . 0.0 110.896 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -125.61 119.64 28.63 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.601 0.761 . . . . 0.0 110.079 176.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.904 ' CD1' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -125.53 129.52 72.81 Favored 'Isoleucine or valine' 0 C--O 1.26 1.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -172.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.509 ' O ' HG22 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -124.48 165.13 18.32 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 120.203 -1.56 . . . . 0.0 112.472 -167.378 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.537 ' OD1' HG11 ' A' ' 93' ' ' VAL . 3.9 p-10 -79.43 -174.56 4.28 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 122.317 1.055 . . . . 0.0 111.088 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.511 HG23 ' HB2' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -60.91 -32.0 71.5 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.582 -177.803 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.413 ' HB2' ' HE3' ' A' ' 91' ' ' LYS . 34.7 mtmt -95.53 25.27 4.59 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.419 -0.801 . . . . 0.0 112.33 -173.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.82 25.03 70.32 Favored Glycine 0 C--O 1.249 1.044 0 O-C-N 121.006 -1.059 . . . . 0.0 112.727 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 89' ' ' LYS . 0.9 OUTLIER -90.52 127.66 36.31 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.174 -1.192 . . . . 0.0 111.264 173.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 93.22 1.69 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.006 0.908 . . . . 0.0 110.713 175.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.537 HG11 ' OD1' ' A' ' 87' ' ' ASP . 29.6 m -76.63 -37.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.59 1.186 . . . . 0.0 111.689 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.855 HD21 ' H ' ' A' ' 95' ' ' GLU . 0.8 OUTLIER -155.67 142.15 18.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.609 1.195 . . . . 0.0 110.778 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.855 ' H ' HD21 ' A' ' 94' ' ' LEU . 13.3 pt-20 -145.36 170.88 15.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.507 1.146 . . . . 0.0 111.884 -172.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HD3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -170.59 159.25 6.64 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.917 -178.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.73 129.56 75.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 CA-C-O 121.364 0.602 . . . . 0.0 110.885 -178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.9 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 19.4 m-85 -115.99 171.64 7.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.913 0.863 . . . . 0.0 111.271 -174.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.99 94.12 1.5 Allowed 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.872 -0.518 . . . . 0.0 111.506 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.774 HD13 HD23 ' A' ' 73' ' ' LEU . 1.5 tm? -77.08 130.89 38.0 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.318 -0.864 . . . . 0.0 110.908 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.719 ' N ' HD12 ' A' ' 100' ' ' LEU . 47.3 mttt -133.69 171.34 14.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.051 0.929 . . . . 0.0 111.352 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.783 HG22 ' HA ' ' A' ' 12' ' ' ALA . 31.7 mm -120.72 145.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 122.049 0.928 . . . . 0.0 110.526 172.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.487 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.548 0 CA-C-O 122.481 1.134 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.52 177.93 8.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.439 1.59 . . . . 0.0 112.152 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 1.03 HD22 ' CD2' ' A' ' 98' ' ' PHE . 9.1 tp -127.75 123.39 35.21 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.65 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.43 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.89 94.0 0.3 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.869 0.843 . . . . 0.0 110.956 173.616 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.939 HG22 HD22 ' A' ' 19' ' ' LEU . 2.4 m -101.51 100.68 11.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.867 0.842 . . . . 0.0 110.822 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -98.23 157.15 16.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.026 0.917 . . . . 0.0 111.579 -173.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.633 ' HA3' HG23 ' A' ' 17' ' ' ILE . . . -157.18 -144.75 4.02 Favored Glycine 0 C--O 1.24 0.475 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 1.067 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . . . -139.56 166.33 24.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.877 0.846 . . . . 0.0 110.934 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 9.4 tt -93.16 116.72 29.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.829 1.299 . . . . 0.0 110.63 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.42 44.12 8.15 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -169.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 1.067 ' CG ' ' HB2' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -127.34 -170.52 2.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 124.38 2.038 . . . . 0.0 112.855 -169.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.44 126.12 17.95 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.723 171.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.633 HG23 ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -142.03 173.55 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.516 0 CA-C-O 122.633 1.206 . . . . 0.0 111.364 -172.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -119.57 173.6 6.9 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 123.759 1.743 . . . . 0.0 112.855 -173.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.959 ' CD1' HD22 ' A' ' 68' ' ' LEU . 11.4 mt -127.09 124.23 38.73 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 125.202 1.401 . . . . 0.0 109.793 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.1 -163.95 1.11 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.0 1.381 . . . . 0.0 111.565 -171.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.934 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.73 157.6 14.4 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.559 -171.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.934 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 21.1 Cg_exo -43.11 169.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.552 1 C-N-CA 126.579 4.853 . . . . 0.0 115.214 -178.078 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.99 31.97 0.94 Allowed 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.441 -0.787 . . . . 0.0 111.884 -173.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -90.52 168.37 11.87 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.317 -0.864 . . . . 0.0 110.836 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -126.44 66.28 1.23 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.357 1.075 . . . . 0.0 111.045 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.49 ' HE1' ' O ' ' A' ' 64' ' ' LYS . 1.8 ptt? -55.6 131.32 46.04 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.467 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -124.34 -120.31 0.27 Allowed 'General case' 0 C--O 1.254 1.298 0 O-C-N 121.311 -0.868 . . . . 0.0 110.216 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.93 12.01 4.5 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 120.738 -1.226 . . . . 0.0 112.53 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -93.1 -28.02 16.59 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.741 -1.224 . . . . 0.0 112.855 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.922 HD13 HG22 ' A' ' 93' ' ' VAL . 2.1 mm -90.07 145.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.749 0.785 . . . . 0.0 111.152 -173.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.27 -37.96 1.62 Allowed 'General case' 0 C--O 1.251 1.136 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.209 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.32 155.99 27.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.765 1.269 . . . . 0.0 111.659 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.076 HG22 HG22 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -149.73 132.0 6.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.507 -176.344 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -140.73 135.76 31.88 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.134 1.445 . . . . 0.0 112.103 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.943 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 55.8 m95 -131.2 125.41 32.88 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.917 172.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.01 159.62 25.26 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-O 121.432 0.635 . . . . 0.0 110.847 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 26.7 ttpt -84.21 97.26 9.29 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.744 HG21 ' C ' ' A' ' 81' ' ' TYR . 19.3 p -35.55 -42.22 0.22 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -171.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -64.18 -71.23 0.18 Allowed 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.487 0.66 . . . . 0.0 112.211 -173.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 19.62 15.4 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 121.344 -0.848 . . . . 0.0 113.059 -172.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.67 61.69 2.87 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 120.978 -1.076 . . . . 0.0 110.46 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 20.9 mttp -119.35 94.38 4.4 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 122.597 1.189 . . . . 0.0 112.422 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -44.8 99.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.046 0.927 . . . . 0.0 111.445 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.971 HD11 ' CD1' ' A' ' 60' ' ' TYR . 28.1 pt -92.33 -45.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.135 0.969 . . . . 0.0 110.976 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . . . -133.95 142.44 47.69 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.529 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.523 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 5.2 tt0 -160.61 153.95 21.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.106 1.432 . . . . 0.0 112.414 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.523 ' HD1' ' O ' ' A' ' 46' ' ' GLN . 2.0 m-85 -138.01 85.75 2.12 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.744 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -104.96 79.3 1.49 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-O 121.284 0.564 . . . . 0.0 111.184 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 69.13 154.59 0.12 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.362 1.077 . . . . 0.0 110.164 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -86.91 40.01 0.88 Allowed 'General case' 0 C--O 1.249 1.078 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.297 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.84 -6.93 11.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.633 1.206 . . . . 0.0 113.918 172.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -175.77 75.25 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.837 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.18 171.55 10.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.866 0.841 . . . . 0.0 111.269 -173.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.415 ' C ' ' HD1' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -132.67 101.25 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.764 0.792 . . . . 0.0 111.27 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 53.59 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.865 0.841 . . . . 0.0 111.106 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -1.45 28.56 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -173.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.66 ' HB3' HG23 ' A' ' 59' ' ' THR . 8.6 tttm -155.07 149.84 26.59 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 120.811 -1.18 . . . . 0.0 111.303 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -74.37 -17.53 60.8 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.66 HG23 ' HB3' ' A' ' 57' ' ' LYS . 10.2 t -52.01 -26.5 10.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.86 0.838 . . . . 0.0 110.731 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.971 ' CD1' HD11 ' A' ' 44' ' ' ILE . 49.3 m-85 -150.67 96.02 2.31 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 121.223 0.535 . . . . 0.0 110.614 171.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.65 126.0 53.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.894 0.854 . . . . 0.0 111.694 -172.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.739 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 1.1 tp -86.7 141.56 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 121.479 -0.763 . . . . 0.0 111.196 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.728 ' H ' HD11 ' A' ' 62' ' ' LEU . 22.7 m-85 -112.51 173.67 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.993 0.901 . . . . 0.0 111.256 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' O ' ' HE1' ' A' ' 26' ' ' MET . 13.1 ptmt -77.3 -39.98 45.98 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.743 0.782 . . . . 0.0 111.154 -178.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -70.43 -5.17 26.51 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 121.679 -0.638 . . . . 0.0 111.843 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.78 17.32 33.32 Favored Glycine 0 C--O 1.252 1.232 0 O-C-N 120.84 -1.162 . . . . 0.0 112.462 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.648 HG21 ' O ' ' A' ' 19' ' ' LEU . 1.3 m -90.1 168.17 12.18 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 120.86 -1.376 . . . . 0.0 110.947 173.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.959 HD22 ' CD1' ' A' ' 19' ' ' LEU . 18.3 tp -135.12 130.34 35.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.715 0.769 . . . . 0.0 111.026 174.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.606 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -107.96 126.14 52.35 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.378 -0.827 . . . . 0.0 110.902 -173.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.595 HD13 ' HH ' ' A' ' 60' ' ' TYR . 1.1 tt -121.83 112.53 35.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.752 1.263 . . . . 0.0 110.102 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.88 149.17 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.56 1.172 . . . . 0.0 112.009 -172.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 49.68 81.03 0.06 Allowed 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.18 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 1.039 HD22 ' CD2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -132.93 100.95 5.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.861 1.791 . . . . 0.0 113.095 -173.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.19 -159.19 0.66 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.115 171.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 m -49.86 -28.98 7.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.518 1.151 . . . . 0.0 111.978 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -32.62 31.12 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.219 -173.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.798 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -73.97 -19.54 60.63 Favored 'General case' 0 C--O 1.255 1.37 0 O-C-N 121.219 -0.926 . . . . 0.0 111.99 177.491 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.684 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -69.22 103.59 1.98 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.099 -1.001 . . . . 0.0 110.938 -174.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -133.96 162.79 31.1 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 110.92 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.526 HG21 HG22 ' A' ' 38' ' ' THR . 0.1 OUTLIER -89.16 147.2 5.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.768 0.794 . . . . 0.0 110.539 175.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.908 ' CD2' HD13 ' A' ' 19' ' ' LEU . 14.5 m-85 -138.27 166.46 24.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.078 0.942 . . . . 0.0 111.522 -171.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' HB2' HG23 ' A' ' 38' ' ' THR . 13.3 ttmt -154.35 129.07 9.33 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.785 173.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.856 HG13 ' CE1' ' A' ' 98' ' ' PHE . 9.8 p -101.97 121.47 53.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 122.7 1.238 . . . . 0.0 111.314 -173.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.659 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 85.1 p -117.29 112.87 21.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.462 173.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 1.076 HG22 HG22 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -121.82 119.27 58.25 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-O 121.305 0.574 . . . . 0.0 109.912 -173.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.685 ' N ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -115.19 160.36 19.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.702 1.239 . . . . 0.0 112.588 -167.319 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' ' 93' ' ' VAL . 31.3 p30 -90.6 -176.35 4.71 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.544 1.164 . . . . 0.0 111.37 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -29.43 67.88 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.921 -175.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -93.89 26.03 3.37 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 121.215 -0.928 . . . . 0.0 112.512 -172.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.18 11.04 66.71 Favored Glycine 0 C--O 1.25 1.148 0 O-C-N 120.934 -1.104 . . . . 0.0 113.307 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 133.5 35.18 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 121.104 -1.233 . . . . 0.0 111.556 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -73.59 87.99 1.66 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.022 1.868 . . . . 0.0 109.436 172.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.922 HG22 HD13 ' A' ' 30' ' ' ILE . 19.5 m -72.15 -31.63 40.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 114.815 -1.084 . . . . 0.0 112.292 -172.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.844 HD23 ' HG2' ' A' ' 22' ' ' PRO . 29.8 tp -152.09 156.55 40.12 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.224 1.012 . . . . 0.0 110.836 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -160.29 151.28 19.01 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.793 0.806 . . . . 0.0 110.947 -172.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.865 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 9.9 mmtt -157.35 160.27 38.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.849 0.833 . . . . 0.0 110.867 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -114.51 141.0 32.52 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 121.605 0.717 . . . . 0.0 110.819 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.03 ' CD2' HD22 ' A' ' 7' ' ' LEU . 12.7 m-85 -142.29 178.21 7.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.925 0.869 . . . . 0.0 111.418 -173.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.503 ' HB3' HG22 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -177.21 117.25 0.1 Allowed 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.49 0.662 . . . . 0.0 111.922 176.469 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 1.039 ' CD2' HD22 ' A' ' 73' ' ' LEU . 1.1 tp -57.0 163.07 2.16 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.513 -0.742 . . . . 0.0 110.749 172.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.723 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 1.3 mttt -151.14 162.88 40.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.645 1.212 . . . . 0.0 111.769 173.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 13' ' ' LEU . 19.8 mm -117.52 141.66 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.006 0.908 . . . . 0.0 109.741 170.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.244 0.809 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.757 -172.187 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--O 1.238 0.467 0 CA-C-O 123.109 1.433 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.4 172.95 15.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.878 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 1.106 HD11 ' CE2' ' A' ' 98' ' ' PHE . 85.4 mt -115.71 113.18 23.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.796 0.808 . . . . 0.0 111.155 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.41 86.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.544 1.164 . . . . 0.0 109.582 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.41 132.48 43.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.518 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -130.04 152.86 49.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.741 0.782 . . . . 0.0 111.359 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.4 -146.92 4.71 Favored Glycine 0 C--O 1.24 0.5 0 CA-C-O 121.968 0.76 . . . . 0.0 111.361 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.711 ' C ' HD12 ' A' ' 102' ' ' ILE . . . -150.59 134.13 16.47 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.86 -0.788 . . . . 0.0 111.03 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.031 HD12 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -48.62 122.04 5.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.636 1.684 . . . . 0.0 110.776 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.994 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 94.43 42.23 4.01 Favored Glycine 0 C--O 1.245 0.784 0 N-CA-C 108.452 -1.859 . . . . 0.0 108.452 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.488 ' O ' HD21 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -150.34 154.09 37.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.461 2.077 . . . . 0.0 115.102 -169.255 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.454 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -90.79 140.7 29.55 Favored 'General case' 0 C--O 1.251 1.164 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.408 171.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.703 HG21 HD12 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -139.02 150.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 122.251 1.024 . . . . 0.0 111.659 -172.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.438 ' N ' HG13 ' A' ' 17' ' ' ILE . 51.0 p-10 -98.76 147.0 25.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.926 1.346 . . . . 0.0 111.359 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.886 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 5.6 mt -108.51 106.74 16.97 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.04 -158.11 0.12 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.914 0.864 . . . . 0.0 110.901 -171.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.963 HG13 ' HD2' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -164.75 161.88 15.07 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 121.678 0.751 . . . . 0.0 110.809 -172.339 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.963 ' HD2' HG13 ' A' ' 21' ' ' ILE . 30.9 Cg_exo -45.18 174.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.455 1 C-N-CA 126.526 4.818 . . . . 0.0 115.167 177.662 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -90.15 32.03 0.95 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.789 -174.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.646 ' CD1' HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -131.73 149.26 52.54 Favored 'General case' 0 C--O 1.245 0.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.54 173.251 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.32 149.3 48.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.212 1.006 . . . . 0.0 111.143 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.744 ' HB3' HG23 ' A' ' 30' ' ' ILE . 4.6 ptt? -51.3 154.52 1.68 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.973 0.892 . . . . 0.0 110.912 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.03 -89.12 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.608 1.194 . . . . 0.0 111.041 -173.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.96 -58.35 5.73 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.057 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -154.68 49.57 0.6 Allowed 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.982 -1.074 . . . . 0.0 113.045 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.744 HG23 ' HB3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -89.88 142.42 12.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 O-C-N 120.791 -1.193 . . . . 0.0 110.144 171.617 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.43 -41.82 1.21 Allowed 'General case' 0 C--O 1.261 1.68 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -171.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -123.35 150.11 44.06 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.204 -1.56 . . . . 0.0 112.13 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.883 ' HA ' HG22 ' A' ' 85' ' ' ILE . 1.4 mp -144.92 110.98 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.771 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -113.71 146.06 40.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.558 1.17 . . . . 0.0 111.338 -173.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.886 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 40.6 m95 -138.69 124.18 19.48 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.688 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.21 165.9 12.64 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.811 -0.556 . . . . 0.0 110.948 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.675 ' HB3' HD12 ' A' ' 44' ' ' ILE . 4.1 ptmt -104.91 89.28 3.11 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.246 1.022 . . . . 0.0 108.857 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.462 ' OG1' HG21 ' A' ' 80' ' ' ILE . 3.1 p -47.06 -22.98 0.41 Allowed 'General case' 0 C--O 1.255 1.373 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -169.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -48.29 -69.15 0.13 Allowed 'General case' 0 C--O 1.244 0.8 0 O-C-N 120.927 -1.108 . . . . 0.0 111.025 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.659 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -101.57 16.96 24.07 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.724 -0.61 . . . . 0.0 112.002 172.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.552 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 14.0 pttt 46.36 57.14 5.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.815 1.293 . . . . 0.0 110.47 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.659 ' HB2' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -127.42 120.08 27.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 123.147 1.451 . . . . 0.0 112.83 -173.296 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.72 151.07 0.21 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 122.902 1.334 . . . . 0.0 112.321 -174.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.675 HD12 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -141.31 -43.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 122.396 1.093 . . . . 0.0 110.794 -179.046 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.736 ' HB2' HD12 ' A' ' 68' ' ' LEU . . . -140.74 145.54 36.56 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.472 174.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.14 147.27 12.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.971 1.367 . . . . 0.0 112.87 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.697 ' HD2' HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -120.43 123.08 42.15 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.323 172.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -145.2 83.83 1.69 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.328 0.585 . . . . 0.0 110.792 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.81 159.39 0.09 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.363 1.554 . . . . 0.0 110.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.48 37.02 0.67 Allowed 'General case' 0 C--O 1.249 1.044 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.364 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -119.44 -7.85 10.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.574 1.178 . . . . 0.0 114.119 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -179.88 110.09 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.944 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -120.64 -177.07 3.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.01 0.909 . . . . 0.0 111.058 -178.191 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' H ' HG23 ' A' ' 53' ' ' THR . 28.5 t80 -137.33 110.4 7.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.062 0.934 . . . . 0.0 111.233 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -164.87 76.84 0.3 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.777 0.799 . . . . 0.0 110.816 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -84.81 -22.56 29.48 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.789 -0.569 . . . . 0.0 112.396 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -149.93 172.34 15.34 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.792 -1.193 . . . . 0.0 111.494 -173.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.73 -23.66 18.84 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 94.8 m -45.89 -26.46 0.69 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.853 0.835 . . . . 0.0 110.245 173.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.984 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 35.4 m-85 -147.81 110.25 4.64 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.933 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.552 ' HB3' ' HE3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -135.47 144.9 46.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.114 1.435 . . . . 0.0 113.47 -175.288 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.697 HD11 ' HD2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -83.64 154.16 23.87 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.866 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.971 ' CD2' HG23 ' A' ' 67' ' ' THR . 93.2 m-85 -127.43 173.41 9.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.158 -0.964 . . . . 0.0 111.047 173.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -68.24 -54.38 18.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.983 0.897 . . . . 0.0 111.007 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -60.88 -14.5 22.57 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.05 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.509 ' HA2' HG23 ' A' ' 33' ' ' ILE . . . 99.86 27.54 7.85 Favored Glycine 0 C--O 1.248 1.02 0 O-C-N 121.047 -1.033 . . . . 0.0 111.874 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.971 HG23 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.51 167.51 12.53 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.074 -1.251 . . . . 0.0 110.751 172.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.736 HD12 ' HB2' ' A' ' 45' ' ' ALA . 13.4 tp -135.69 111.58 9.48 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.387 -0.821 . . . . 0.0 111.487 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.962 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -82.52 159.15 22.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.86 0.838 . . . . 0.0 110.714 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.765 HD13 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mt -135.27 117.56 21.76 Favored 'Isoleucine or valine' 0 C--O 1.259 1.594 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.106 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.454 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 7.8 tptm -91.17 136.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.26 101.38 0.01 OUTLIER 'General case' 0 C--O 1.252 1.234 0 C-N-CA 124.432 1.093 . . . . 0.0 113.02 172.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 1.065 HD23 HD13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -134.85 -178.57 5.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.479 1.133 . . . . 0.0 111.496 -173.625 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 1.031 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.5 mttt -151.05 -142.75 0.12 Allowed 'General case' 0 C--O 1.245 0.827 0 C-N-CA 125.123 1.369 . . . . 0.0 109.688 170.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -75.08 -23.19 57.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 123.142 1.448 . . . . 0.0 110.823 165.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.09 -34.55 56.86 Favored 'General case' 0 C--O 1.271 2.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 113.413 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 1.058 ' CB ' ' HB2' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -70.17 -6.07 31.7 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 121.152 1.797 . . . . 0.0 110.279 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.493 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -58.87 132.91 55.36 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.718 1.247 . . . . 0.0 110.916 171.606 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.4 m-20 -151.26 179.33 8.41 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 122.568 1.175 . . . . 0.0 110.672 172.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.588 HG22 ' OD1' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -104.44 145.24 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 122.034 0.921 . . . . 0.0 110.189 173.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.984 ' HE2' ' CE1' ' A' ' 60' ' ' TYR . 6.7 m-85 -144.54 163.41 33.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.739 0.781 . . . . 0.0 110.377 -172.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.828 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -160.37 133.79 6.84 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.21 0.529 . . . . 0.0 110.285 172.711 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.924 HG13 ' CE1' ' A' ' 98' ' ' PHE . 7.8 p -102.9 121.49 54.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 122.236 1.017 . . . . 0.0 110.815 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -119.3 107.58 13.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.652 0.739 . . . . 0.0 110.269 174.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.883 HG22 ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -116.81 119.52 62.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.974 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.378 -171.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.55 ' HD2' ' N ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -115.66 158.28 22.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 112.436 -169.597 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' H ' HG11 ' A' ' 93' ' ' VAL . 6.5 p30 -76.4 -173.05 2.34 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 122.052 0.93 . . . . 0.0 111.104 175.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -26.7 65.65 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 121.603 -0.686 . . . . 0.0 111.895 -178.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -90.34 19.22 5.33 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.098 -1.001 . . . . 0.0 112.48 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.76 13.03 60.62 Favored Glycine 0 C--O 1.249 1.048 0 O-C-N 120.938 -1.101 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 120.13 31.09 Favored 'General case' 0 C--O 1.245 0.82 0 O-C-N 121.093 -1.239 . . . . 0.0 111.427 -174.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.55 ' N ' ' HD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -58.48 94.07 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.81 1.291 . . . . 0.0 110.695 173.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 85' ' ' ILE . 13.1 m -77.47 -26.87 15.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 122.425 1.107 . . . . 0.0 111.993 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.731 HD23 ' CB ' ' A' ' 22' ' ' PRO . 53.9 tp -164.97 155.24 13.78 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.394 1.092 . . . . 0.0 110.852 173.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' H ' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -154.84 159.33 40.47 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.598 -173.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.828 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -172.69 156.25 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.004 0.907 . . . . 0.0 110.897 -177.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.44 152.68 7.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.781 1.277 . . . . 0.0 111.645 -172.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.106 ' CE2' HD11 ' A' ' 7' ' ' LEU . 45.6 m-85 -135.63 166.83 22.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.343 1.068 . . . . 0.0 111.674 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.588 ' OD1' HG22 ' A' ' 80' ' ' ILE . 1.9 m-20 -155.81 95.24 1.63 Allowed 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.673 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.747 ' CD1' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.75 146.55 7.83 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.945 0.878 . . . . 0.0 111.269 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.493 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -144.9 -177.71 5.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 123.55 1.643 . . . . 0.0 111.012 173.658 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 1.065 HD13 HD23 ' A' ' 73' ' ' LEU . 3.2 mt -151.45 160.12 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.828 170.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 102' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.694 0 CA-C-O 122.001 0.905 . . . . 0.0 110.31 -172.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--O 1.237 0.431 0 CA-C-O 122.974 1.368 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 172.08 7.05 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.413 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 4.5 tp -123.76 107.19 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.868 0.842 . . . . 0.0 110.943 -173.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -66.43 94.51 0.28 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.782 0.801 . . . . 0.0 110.913 174.26 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.828 HG21 ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -90.95 172.82 8.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 110.483 173.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 101' ' ' LYS . 93.3 m95 -160.59 148.77 16.33 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.808 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.576 ' HA3' HD11 ' A' ' 73' ' ' LEU . . . -159.97 116.52 0.72 Allowed Glycine 0 C--O 1.241 0.565 0 O-C-N 121.252 -0.905 . . . . 0.0 112.346 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.873 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -61.96 144.94 54.32 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.621 -0.929 . . . . 0.0 110.581 173.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.762 HD11 HG23 ' A' ' 102' ' ' ILE . 4.2 mp -57.91 134.04 55.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.601 1.191 . . . . 0.0 111.025 -173.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.69 31.55 44.39 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.216 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.873 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.1 tm0? -116.32 159.19 22.27 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.086 -1.244 . . . . 0.0 110.456 -173.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.24 131.07 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.406 1.098 . . . . 0.0 109.948 173.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.454 ' CD1' ' HB ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -135.77 177.93 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 123.1 1.429 . . . . 0.0 112.604 -170.755 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.688 ' O ' HD21 ' A' ' 19' ' ' LEU . 19.1 m-20 -117.73 177.88 4.6 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 123.343 1.544 . . . . 0.0 111.835 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.128 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 2.2 mm? -135.2 101.07 4.73 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 124.302 1.041 . . . . 0.0 109.268 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -94.57 110.22 22.05 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 123.313 1.53 . . . . 0.0 113.663 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 1.005 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 5.7 tp -72.87 154.77 90.99 Favored Pre-proline 0 C--O 1.246 0.902 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.121 170.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 1.005 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 10.0 Cg_endo -46.13 179.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.468 1 C-N-CA 127.241 5.294 . . . . 0.0 114.722 174.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.54 30.67 0.99 Allowed 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.838 -1.073 . . . . 0.0 112.224 -175.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.592 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -114.75 123.31 48.91 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 121.487 -0.758 . . . . 0.0 110.005 172.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.592 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.7 173.39 11.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.951 1.358 . . . . 0.0 112.113 -172.494 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.462 ' CB ' ' HB ' ' A' ' 30' ' ' ILE . 17.1 ptt? -66.53 174.69 2.65 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.887 -1.052 . . . . 0.0 111.221 -174.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -176.89 -61.14 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.962 1.363 . . . . 0.0 110.986 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -94.58 0.02 OUTLIER 'General case' 0 C--O 1.248 0.991 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.06 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.81 ' O ' HG21 ' A' ' 88' ' ' THR . 25.2 m-20 -122.37 27.83 7.72 Favored 'General case' 0 C--O 1.249 1.042 0 O-C-N 121.434 -0.791 . . . . 0.0 111.922 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.767 HD12 ' HB3' ' A' ' 87' ' ' ASP . 5.1 mm -71.95 122.32 24.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 O-C-N 121.213 -0.929 . . . . 0.0 110.252 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.69 -31.63 3.94 Favored 'General case' 0 C--O 1.257 1.481 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -171.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . 1.1 m-20 -100.44 142.1 32.37 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 120.756 -1.215 . . . . 0.0 111.311 -172.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.879 HG22 ' CG2' ' A' ' 85' ' ' ILE . 5.7 mt -148.85 104.25 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.876 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' HG3' ' CD ' ' A' ' 46' ' ' GLN . 21.5 tttt -114.64 152.27 32.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.594 1.664 . . . . 0.0 111.999 -173.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 1.128 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.8 m95 -144.17 126.0 15.24 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.296 173.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -132.8 168.52 18.21 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.401 -0.812 . . . . 0.0 111.192 -171.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' NZ ' HG21 ' A' ' 44' ' ' ILE . 2.3 mtmm -83.22 117.66 23.09 Favored 'General case' 0 C--O 1.249 1.074 0 O-C-N 121.336 -0.853 . . . . 0.0 109.022 171.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.7 HG23 ' HB2' ' A' ' 82' ' ' LYS . 74.6 p -54.13 -44.79 71.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.989 0.9 . . . . 0.0 111.283 -170.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -61.19 -84.28 0.01 OUTLIER 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.754 0.788 . . . . 0.0 111.383 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.808 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.34 13.61 3.47 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 121.736 -0.602 . . . . 0.0 112.606 -174.029 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.808 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER 51.79 62.89 2.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.035 1.398 . . . . 0.0 110.186 173.451 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.552 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.0 tttt -119.38 102.39 8.64 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.199 1.475 . . . . 0.0 112.219 -173.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.814 ' HD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -44.8 130.38 7.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.998 1.38 . . . . 0.0 111.875 176.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.874 HD11 ' CD1' ' A' ' 60' ' ' TYR . 17.4 pt -127.3 -43.07 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 122.367 1.079 . . . . 0.0 110.828 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.864 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . . . -139.65 127.24 21.7 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.311 175.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.805 ' HB3' ' HD3' ' A' ' 43' ' ' LYS . 4.3 tt0 -160.03 147.6 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.415 1.579 . . . . 0.0 113.218 -173.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.8 ' CD1' HG23 ' A' ' 53' ' ' THR . 1.9 m-30 -124.85 122.04 36.27 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 172.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.639 ' HG2' ' HG2' ' A' ' 46' ' ' GLN . 4.7 ptm180 -158.07 113.22 2.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.812 0.815 . . . . 0.0 111.104 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.8 145.14 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.765 0.793 . . . . 0.0 110.61 -173.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.26 32.43 0.94 Allowed 'General case' 0 C--O 1.248 0.986 0 O-C-N 121.743 -0.598 . . . . 0.0 111.915 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -106.28 -7.84 17.59 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -176.77 135.82 0.23 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.944 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.8 HG23 ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -117.07 158.17 24.63 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.779 0.8 . . . . 0.0 110.926 178.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.814 ' CD2' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -121.03 97.42 5.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.94 0.876 . . . . 0.0 111.145 177.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -162.86 56.25 0.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.195 0.998 . . . . 0.0 110.652 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.79 -31.29 62.49 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.545 -173.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.797 ' HB3' HG23 ' A' ' 59' ' ' THR . 0.2 OUTLIER -151.55 157.28 42.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.064 0.935 . . . . 0.0 111.176 -174.257 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.51 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 4.7 m-20 -72.6 -4.76 32.76 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 176.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.797 HG23 ' HB3' ' A' ' 57' ' ' LYS . 10.3 t -60.68 -25.83 66.66 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.089 -1.007 . . . . 0.0 110.783 174.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.874 ' CD1' HD11 ' A' ' 44' ' ' ILE . 49.6 m-85 -150.07 80.77 1.37 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.634 0.731 . . . . 0.0 110.55 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -107.28 169.45 8.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.388 1.089 . . . . 0.0 112.74 -172.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.864 ' CD2' ' HB3' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -111.65 163.32 14.24 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 174.007 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.681 ' CD2' HG23 ' A' ' 67' ' ' THR . 13.3 m-30 -125.59 169.87 12.04 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 121.36 -0.837 . . . . 0.0 111.03 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -63.5 -28.81 70.21 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.379 -0.826 . . . . 0.0 111.612 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -96.84 11.54 35.41 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 121.405 -0.809 . . . . 0.0 112.341 -173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.443 ' HA3' HG23 ' A' ' 21' ' ' ILE . . . 88.37 6.95 73.43 Favored Glycine 0 C--O 1.253 1.322 0 O-C-N 120.799 -1.188 . . . . 0.0 112.891 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.681 HG23 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -88.03 149.18 24.14 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 119.049 1.424 . . . . 0.0 111.218 177.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.523 HD22 HG13 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -109.2 148.85 30.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 110.509 172.331 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -114.45 134.07 55.27 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.554 174.342 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.537 ' CD1' HD22 ' A' ' 19' ' ' LEU . 1.8 mt -121.06 107.31 20.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.081 0.943 . . . . 0.0 110.606 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -82.42 142.46 31.93 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.407 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t60 61.25 110.23 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 123.279 1.514 . . . . 0.0 110.691 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 1.0 HD23 ' CD1' ' A' ' 100' ' ' LEU . 2.4 tm? -136.31 69.64 1.42 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.062 0.934 . . . . 0.0 112.711 -170.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.645 ' CE ' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -94.34 -171.66 2.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.153 0.978 . . . . 0.0 110.473 170.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.1 m -51.68 -26.87 10.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.28 1.038 . . . . 0.0 111.602 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.645 ' HB3' ' CE ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -76.26 -40.28 52.27 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.632 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.01 14.34 14.22 Favored 'General case' 0 C--O 1.253 1.24 0 O-C-N 121.31 -0.869 . . . . 0.0 112.129 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.843 ' HA ' HD11 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.38 126.31 34.79 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 120.822 -1.174 . . . . 0.0 111.245 173.462 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.71 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -157.6 160.53 38.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.841 -176.494 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.505 HG21 HG22 ' A' ' 38' ' ' THR . 22.8 mt -86.07 148.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.379 0.609 . . . . 0.0 110.063 173.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.692 ' HE1' ' HB3' ' A' ' 100' ' ' LEU . 96.8 m-85 -140.83 156.01 46.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.847 0.832 . . . . 0.0 111.349 -170.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.817 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 6.2 tttt -146.61 132.55 19.14 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.918 0.866 . . . . 0.0 110.666 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.574 HG13 ' CE2' ' A' ' 98' ' ' PHE . 4.6 p -104.1 119.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.16 0.981 . . . . 0.0 110.967 -173.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.507 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -124.23 109.89 13.97 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.868 0.842 . . . . 0.0 110.324 178.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.879 ' CG2' HG22 ' A' ' 33' ' ' ILE . 1.5 mt -120.33 118.62 57.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.341 0 O-C-N 121.925 -0.485 . . . . 0.0 110.129 -172.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.701 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 2.6 m-85 -114.88 168.81 9.58 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 120.512 -1.367 . . . . 0.0 112.524 -168.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.767 ' HB3' HD12 ' A' ' 30' ' ' ILE . 10.6 p30 -94.16 -174.61 3.43 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.192 0.996 . . . . 0.0 110.99 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.81 HG21 ' O ' ' A' ' 29' ' ' ASP . 74.8 p -57.87 -26.2 61.77 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 121.431 -0.793 . . . . 0.0 112.149 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -98.23 30.7 3.03 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.034 -1.041 . . . . 0.0 112.121 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.7 49.37 Favored Glycine 0 C--O 1.248 0.981 0 O-C-N 121.241 -0.912 . . . . 0.0 111.999 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 1.1 mtpt -90.33 126.87 36.01 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.16 -1.2 . . . . 0.0 111.48 -173.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.701 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 1.4 t30 -67.5 92.82 0.32 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.111 0.958 . . . . 0.0 110.839 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.748 HG22 HD11 ' A' ' 30' ' ' ILE . 15.1 m -78.18 -27.95 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.368 1.08 . . . . 0.0 112.352 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.624 HD11 ' H ' ' A' ' 95' ' ' GLU . 28.3 tp -151.94 151.53 31.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.232 1.015 . . . . 0.0 110.999 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.624 ' H ' HD11 ' A' ' 94' ' ' LEU . 4.5 tm-20 -154.58 158.68 40.14 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.708 -174.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.817 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -166.48 160.35 15.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.044 0.926 . . . . 0.0 111.393 -178.665 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.81 134.83 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.933 0.873 . . . . 0.0 110.808 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.762 ' HD2' ' CZ3' ' A' ' 35' ' ' TRP . 21.7 m-30 -135.63 160.86 37.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.814 -172.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.828 ' O ' HG21 ' A' ' 9' ' ' THR . 4.5 m-20 -146.28 86.55 1.7 Allowed 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.318 -0.864 . . . . 0.0 111.878 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 1.0 ' CD1' HD23 ' A' ' 73' ' ' LEU . 1.5 tm? -61.17 108.19 0.86 Allowed 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.529 0.68 . . . . 0.0 110.793 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.667 ' HG3' ' O ' ' A' ' 99' ' ' ASP . 1.8 mtpm? -104.68 172.07 6.99 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 123.356 1.551 . . . . 0.0 112.12 -174.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.893 ' CD1' HD12 ' A' ' 73' ' ' LEU . 1.2 mm -128.83 151.51 35.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.019 171.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.723 0 CA-C-O 121.937 0.875 . . . . 0.0 111.229 -172.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 121.955 0.883 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.97 169.9 16.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.062 0.934 . . . . 0.0 110.985 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 14.9 mt -125.46 112.96 16.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.31 1.052 . . . . 0.0 110.994 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.97 102.0 0.32 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.846 0.831 . . . . 0.0 111.019 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 1.054 HG22 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.91 122.29 45.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.516 0.674 . . . . 0.0 110.523 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.532 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 86.2 m95 -118.82 157.72 27.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.924 0.869 . . . . 0.0 112.174 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.2 -171.07 25.62 Favored Glycine 0 C--O 1.24 0.491 0 CA-C-O 122.299 0.944 . . . . 0.0 111.741 173.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.861 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -135.91 153.34 51.48 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 121.732 -0.864 . . . . 0.0 110.712 173.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.677 ' CD1' HG23 ' A' ' 102' ' ' ILE . 5.8 mp -62.1 135.72 57.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.124 1.44 . . . . 0.0 112.676 -171.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.19 43.23 Favored Glycine 0 C--O 1.238 0.364 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.861 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 15.1 tt0 -138.21 146.02 42.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.622 1.201 . . . . 0.0 112.088 -171.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -97.39 135.74 38.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.677 -175.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 HD11 HG23 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -128.48 157.53 40.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.991 0.9 . . . . 0.0 111.336 -172.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.444 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -110.44 146.42 35.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.92 1.343 . . . . 0.0 111.703 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.054 ' CD1' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -100.1 96.96 7.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.434 172.598 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.93 117.96 31.62 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 123.609 1.671 . . . . 0.0 111.692 -169.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.905 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.84 154.05 92.9 Favored Pre-proline 0 C--O 1.239 0.541 0 CA-C-O 122.483 1.135 . . . . 0.0 112.123 177.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.905 ' HD2' HG12 ' A' ' 21' ' ' ILE . 13.8 Cg_exo -43.39 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.375 1 C-N-CA 127.699 5.6 . . . . 0.0 116.807 174.384 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.07 29.22 0.84 Allowed 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.896 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.551 ' HD2' HD12 ' A' ' 94' ' ' LEU . 2.4 t80 -116.27 123.43 47.69 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.625 -0.672 . . . . 0.0 110.083 171.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -135.32 144.37 46.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.42 1.105 . . . . 0.0 111.773 -172.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 1.051 ' HE3' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -86.51 166.34 15.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.998 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -124.77 -113.9 0.29 Allowed 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.325 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -90.11 23.34 2.87 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.855 -1.153 . . . . 0.0 111.861 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -108.13 -78.4 0.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.942 1.354 . . . . 0.0 110.939 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.763 HG22 ' O ' ' A' ' 86' ' ' TYR . 1.3 mp -49.08 144.01 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.705 -174.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.5 -31.7 3.22 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.381 -173.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' O ' HG21 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -110.83 142.95 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.098 . . . . 0.0 111.224 -172.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.924 ' HA ' HG22 ' A' ' 85' ' ' ILE . 29.3 mt -139.78 104.1 1.88 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.882 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.022 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -110.83 153.77 24.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.236 1.493 . . . . 0.0 112.244 -173.01 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.965 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 49.7 m95 -155.24 131.4 10.21 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.423 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.791 ' C ' HD11 ' A' ' 44' ' ' ILE . 16.8 tt0 -124.5 170.71 10.62 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 111.088 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 1.008 ' HB3' HD13 ' A' ' 44' ' ' ILE . 14.3 ptmt -105.38 85.09 2.19 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.51 ' OG1' HG21 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -38.4 -37.21 0.28 Allowed 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.069 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 t -49.58 -68.4 0.18 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.991 -1.068 . . . . 0.0 111.412 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -92.79 3.49 55.55 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.659 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 7.8 ttmt 54.26 62.11 2.73 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.627 -1.295 . . . . 0.0 110.405 -177.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.733 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -129.83 121.53 26.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 123.545 1.64 . . . . 0.0 113.879 -172.468 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -42.62 97.29 0.01 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.919 1.342 . . . . 0.0 111.547 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.008 HD13 ' HB3' ' A' ' 37' ' ' LYS . 5.1 mt -82.62 -41.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 123.053 1.406 . . . . 0.0 110.899 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.759 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -171.27 134.38 0.9 Allowed 'General case' 0 C--O 1.253 1.248 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.358 -172.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.504 ' HG3' ' HG3' ' A' ' 34' ' ' LYS . 7.3 tt0 -159.77 142.49 13.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.742 1.258 . . . . 0.0 112.29 -173.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 114.33 17.92 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.709 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.78 101.59 3.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.858 0.837 . . . . 0.0 111.116 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.46 147.38 0.06 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.071 0.939 . . . . 0.0 110.724 -176.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.2 34.43 0.87 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.783 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -112.87 -7.39 13.76 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 172.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER 171.72 129.34 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.723 178.176 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 p -147.5 174.28 11.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.046 0.927 . . . . 0.0 111.079 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -123.13 109.66 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.874 0.845 . . . . 0.0 111.016 -177.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.68 40.87 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.647 0.737 . . . . 0.0 110.919 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.84 24.4 2.06 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.782 -0.574 . . . . 0.0 112.345 -172.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.24 151.72 5.8 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 120.933 -1.105 . . . . 0.0 111.591 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.39 -15.67 39.66 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 174.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.0 m -50.6 -20.68 1.26 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.951 -0.468 . . . . 0.0 110.204 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.901 ' HD1' ' CG2' ' A' ' 70' ' ' ILE . 40.7 m-85 -150.5 85.22 1.37 Allowed 'General case' 0 C--O 1.245 0.822 0 CA-C-O 121.262 0.553 . . . . 0.0 109.787 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -93.17 168.74 10.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.277 1.037 . . . . 0.0 113.408 -170.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 1.008 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -122.3 143.75 49.42 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.812 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.62 ' HE2' ' HB2' ' A' ' 69' ' ' LYS . 96.8 m-85 -125.37 154.82 41.28 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.356 -0.84 . . . . 0.0 110.817 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -13.35 62.32 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 121.622 -0.674 . . . . 0.0 111.839 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -96.73 26.72 4.33 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.057 -1.027 . . . . 0.0 111.96 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.542 ' HA3' HG23 ' A' ' 21' ' ' ILE . . . 77.07 7.02 86.63 Favored Glycine 0 C--O 1.254 1.395 0 O-C-N 121.091 -1.006 . . . . 0.0 113.267 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.46 HG23 ' CD2' ' A' ' 63' ' ' PHE . 3.3 m -88.76 161.53 16.73 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-N 119.133 1.466 . . . . 0.0 111.057 -176.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 1.008 HD11 ' CD1' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -138.23 114.67 10.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.5 1.143 . . . . 0.0 112.076 173.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.62 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 2.5 tttm -96.83 102.98 14.86 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.279 -0.888 . . . . 0.0 111.354 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 1.077 HD13 HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -108.72 115.17 48.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 123.641 1.686 . . . . 0.0 110.654 -171.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -76.32 148.97 37.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.008 -171.217 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.8 t60 61.06 105.9 0.02 OUTLIER 'General case' 0 C--O 1.242 0.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.016 173.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.901 ' CD1' HD22 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -145.41 101.05 3.54 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -174.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.48 -171.21 1.79 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 126.818 2.047 . . . . 0.0 110.286 166.229 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.442 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.9 m -46.6 -29.95 2.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.345 1.069 . . . . 0.0 112.409 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -86.74 -33.12 20.08 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.149 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.772 ' O ' HD11 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -99.55 23.03 9.98 Favored 'General case' 0 C--O 1.249 1.046 0 O-C-N 121.978 -0.451 . . . . 0.0 111.607 173.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.515 ' HB2' HD13 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -104.65 125.8 51.11 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.086 -1.009 . . . . 0.0 110.713 172.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.617 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -145.46 172.08 13.72 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.229 1.014 . . . . 0.0 111.59 -173.345 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.51 HG21 ' OG1' ' A' ' 38' ' ' THR . 4.1 mt -91.84 148.6 4.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.201 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.874 ' CD2' HD12 ' A' ' 44' ' ' ILE . 17.0 m-85 -143.92 163.22 34.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.898 0.856 . . . . 0.0 111.08 -171.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 8.5 ttpp -154.52 143.95 21.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.844 0.83 . . . . 0.0 110.663 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.975 HG13 ' HE1' ' A' ' 98' ' ' PHE . 7.3 p -114.95 123.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.279 1.037 . . . . 0.0 111.29 -173.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.434 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 85.5 p -125.55 103.72 8.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.83 0.824 . . . . 0.0 110.572 174.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 1.051 HG23 ' HE3' ' A' ' 26' ' ' MET . 0.7 OUTLIER -112.66 116.25 52.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -173.283 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.763 ' O ' HG22 ' A' ' 30' ' ' ILE . 10.9 m-30 -107.05 164.11 12.42 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.588 1.185 . . . . 0.0 112.675 -169.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.845 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 15.6 p-10 -96.5 -173.89 2.89 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.738 1.256 . . . . 0.0 111.116 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.9 p -64.35 -30.28 71.33 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.868 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -83.24 8.61 12.82 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.213 -0.929 . . . . 0.0 112.394 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.25 19.47 79.81 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.797 -1.189 . . . . 0.0 112.54 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.845 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 2.7 mtpt -90.43 151.39 21.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.061 -1.258 . . . . 0.0 111.395 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.525 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 m120 -89.05 93.43 9.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.957 0.884 . . . . 0.0 110.707 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.699 HG12 ' HB3' ' A' ' 87' ' ' ASP . 2.6 m -80.19 -20.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 ' HD2' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -162.53 145.49 11.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.155 0.979 . . . . 0.0 111.247 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -148.06 141.87 25.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.857 0.837 . . . . 0.0 110.91 -178.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.662 ' HD3' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -153.38 159.82 42.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.898 0.856 . . . . 0.0 111.031 -174.006 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.06 137.81 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.877 0.846 . . . . 0.0 110.869 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.975 ' HE1' HG13 ' A' ' 83' ' ' VAL . 19.8 m-85 -131.56 170.27 14.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.755 0.788 . . . . 0.0 111.142 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -158.8 100.49 1.6 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.217 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 1.077 HD23 HD13 ' A' ' 70' ' ' ILE . 2.5 mp -54.43 145.88 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.377 -0.827 . . . . 0.0 110.746 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.43 163.97 29.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.464 1.126 . . . . 0.0 111.55 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.677 HG23 ' CD1' ' A' ' 13' ' ' LEU . 28.7 mm -115.43 144.22 23.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.84 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.532 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 7.7 tp60 . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 122.018 0.913 . . . . 0.0 111.453 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.891 ' HB3' HD11 ' A' ' 97' ' ' ILE . 1.2 m120 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 121.58 0.705 . . . . 0.0 111.634 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.514 ' HB3' ' OD1' ' A' ' 99' ' ' ASP . . . 179.95 175.31 0.81 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.071 1.415 . . . . 0.0 111.77 173.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 1.089 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 5.7 mt -140.52 119.75 12.93 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.694 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 91.11 0.08 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.972 0.891 . . . . 0.0 110.881 -176.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.442 ' HB ' HD21 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -114.7 135.89 53.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.527 0.68 . . . . 0.0 110.596 -174.129 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 93.0 m95 -140.64 159.3 42.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.976 0.893 . . . . 0.0 111.508 -172.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.41 170.31 36.38 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.837 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -100.16 158.46 15.84 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 121.957 -0.731 . . . . 0.0 110.458 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.044 HD11 HG23 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -68.88 132.13 46.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.802 1.286 . . . . 0.0 110.973 -173.316 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.07 35.3 34.97 Favored Glycine 0 C--O 1.249 1.083 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.016 -176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.837 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -128.91 152.03 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.239 -1.154 . . . . 0.0 110.842 -172.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.512 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -101.46 135.35 43.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.388 1.09 . . . . 0.0 110.636 176.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.509 HG23 HD23 ' A' ' 100' ' ' LEU . 8.2 tp -140.82 157.56 23.35 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.798 ' O ' HD11 ' A' ' 19' ' ' LEU . 32.5 m120 -108.03 171.86 7.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.222 1.487 . . . . 0.0 111.949 -173.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.133 HD22 ' CZ3' ' A' ' 35' ' ' TRP . 6.5 mp -127.02 117.12 21.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.302 1.048 . . . . 0.0 110.1 175.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.8 114.3 21.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.815 0.817 . . . . 0.0 109.67 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 1.027 ' HB ' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -96.24 -76.82 0.03 OUTLIER Pre-proline 0 C--O 1.259 1.56 0 N-CA-C 114.195 1.184 . . . . 0.0 114.195 -169.167 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.953 ' HD3' HG22 ' A' ' 21' ' ' ILE . 11.2 Cg_endo -87.43 157.82 8.01 Favored 'Trans proline' 0 N--CA 1.533 3.822 1 C-N-CA 126.762 4.975 . . . . 0.0 117.242 -172.427 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -92.15 23.92 3.57 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -115.39 155.53 27.22 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.412 -0.805 . . . . 0.0 110.62 -172.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.69 91.99 3.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.272 1.034 . . . . 0.0 110.838 176.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.561 ' HE1' ' O ' ' A' ' 64' ' ' LYS . 7.3 ptt? -60.39 171.74 1.01 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.919 0.866 . . . . 0.0 111.269 -173.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 t -146.18 -123.48 0.07 Allowed 'General case' 0 C--O 1.253 1.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.523 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.7 32.43 0.98 Allowed 'General case' 0 C--O 1.26 1.617 0 O-C-N 120.698 -1.251 . . . . 0.0 112.319 -171.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -115.36 -39.64 3.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.336 -1.478 . . . . 0.0 113.185 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.443 HG13 ' HB2' ' A' ' 26' ' ' MET . 0.2 OUTLIER -87.59 140.79 15.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.273 -173.031 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.47 -30.69 4.49 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.971 -173.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' HG21 ' A' ' 85' ' ' ILE . 4.7 m-20 -126.16 155.42 41.76 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.361 1.077 . . . . 0.0 111.213 -173.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.912 HG22 HG22 ' A' ' 85' ' ' ILE . 2.2 mt -137.29 160.92 35.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.801 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.67 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -156.24 147.72 22.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 123.248 1.499 . . . . 0.0 112.125 173.834 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 1.133 ' CZ3' HD22 ' A' ' 19' ' ' LEU . 30.0 m95 -139.85 112.22 7.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.132 173.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -94.62 153.42 17.85 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.471 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.63 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 17.4 tttt -98.37 86.78 3.7 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.789 -0.569 . . . . 0.0 110.073 -176.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.6 ' OG1' HG21 ' A' ' 80' ' ' ILE . 23.5 p -66.45 95.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 123.904 1.811 . . . . 0.0 110.861 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 p 179.22 -57.11 0.01 OUTLIER 'General case' 0 C--O 1.237 0.441 0 CA-C-O 123.747 1.737 . . . . 0.0 109.96 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -6.52 19.45 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.269 169.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 60.78 69.72 0.66 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.603 1.192 . . . . 0.0 111.308 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.58 154.37 5.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 124.054 1.883 . . . . 0.0 112.1 172.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HB2' ' HE2' ' A' ' 54' ' ' PHE . 8.6 mttt -44.69 146.58 0.73 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-O 123.552 1.644 . . . . 0.0 112.949 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.63 ' CG2' ' HB2' ' A' ' 37' ' ' LYS . 12.7 pt -135.32 -42.93 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.38 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.746 ' CB ' HD23 ' A' ' 62' ' ' LEU . . . -132.17 139.76 48.49 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.541 173.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.67 ' HG3' ' CG ' ' A' ' 34' ' ' LYS . 12.3 tt0 -165.6 150.37 8.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 123.029 1.395 . . . . 0.0 112.407 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HD1' HD11 ' A' ' 62' ' ' LEU . 3.8 m-85 -126.85 129.56 48.5 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.562 173.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -147.95 102.68 3.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.421 -0.799 . . . . 0.0 111.081 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.1 mttm 63.5 152.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.613 1.673 . . . . 0.0 110.511 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -87.54 37.65 0.79 Allowed 'General case' 0 C--O 1.25 1.097 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.287 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.89 -7.86 13.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.664 1.221 . . . . 0.0 113.959 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.58 149.58 1.28 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.923 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 p -125.54 160.21 30.12 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.353 0.597 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.621 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 1.7 t80 -121.97 87.25 2.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.954 0.883 . . . . 0.0 111.69 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 107.33 0.82 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.245 1.498 . . . . 0.0 110.086 172.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.19 -31.91 62.85 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 121.262 -0.898 . . . . 0.0 111.292 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.863 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -159.83 164.67 33.46 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.33 0.586 . . . . 0.0 110.755 -177.114 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.533 ' HA ' ' HB3' ' A' ' 61' ' ' LYS . 2.8 m-20 -72.96 -6.93 48.61 Favored 'General case' 0 C--O 1.255 1.348 0 O-C-N 121.613 -0.68 . . . . 0.0 112.491 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.863 HG23 ' HG3' ' A' ' 57' ' ' LYS . 9.2 t -55.43 -26.78 43.88 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.365 -0.834 . . . . 0.0 110.315 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.742 ' CE1' HG22 ' A' ' 70' ' ' ILE . 5.0 m-85 -148.61 86.15 1.52 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.619 0.723 . . . . 0.0 111.058 173.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 58' ' ' ASP . 2.9 ptmt -129.2 167.55 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.305 1.05 . . . . 0.0 112.212 -176.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.893 HD22 HD11 ' A' ' 68' ' ' LEU . 4.7 mt -104.39 175.25 5.55 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.672 0.789 . . . . 0.0 111.064 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.68 ' CD2' HG23 ' A' ' 67' ' ' THR . 65.6 m-85 -130.64 174.98 9.4 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.913 -1.117 . . . . 0.0 111.391 174.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.561 ' O ' ' HE1' ' A' ' 26' ' ' MET . 0.1 OUTLIER -68.89 -23.17 64.17 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.693 -0.629 . . . . 0.0 111.75 177.752 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -102.12 20.58 16.4 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.175 -0.953 . . . . 0.0 112.019 -175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -7.15 82.3 Favored Glycine 0 C--O 1.253 1.338 0 O-C-N 120.919 -1.113 . . . . 0.0 113.273 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.68 HG23 ' CD2' ' A' ' 63' ' ' PHE . 5.1 m -83.47 153.59 24.37 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.708 -1.466 . . . . 0.0 111.366 -173.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.945 HD22 HD21 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -118.79 132.56 56.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.853 0.835 . . . . 0.0 110.658 172.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 ttpt -100.79 134.84 43.17 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.456 0.646 . . . . 0.0 110.834 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.742 HG22 ' CE1' ' A' ' 60' ' ' TYR . 2.0 mt -119.06 108.58 24.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.884 0.849 . . . . 0.0 110.864 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.1 mtpt -86.46 143.35 27.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.747 0.784 . . . . 0.0 111.121 -176.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 60.68 104.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 123.079 1.419 . . . . 0.0 111.159 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.682 HD23 ' CD1' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -138.98 83.4 1.95 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.221 1.01 . . . . 0.0 112.21 -173.039 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -97.26 -163.59 1.06 Allowed 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.274 170.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 m -57.6 -28.1 63.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.217 1.008 . . . . 0.0 112.349 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -41.73 14.05 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.552 ' O ' HD21 ' A' ' 73' ' ' LEU . 1.3 m-20 -79.89 -0.28 34.22 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.477 -0.765 . . . . 0.0 112.052 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -83.19 129.14 34.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 120.799 -1.188 . . . . 0.0 110.728 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 68.0 m-20 -149.9 178.74 8.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.438 1.113 . . . . 0.0 111.21 -173.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.6 HG21 ' OG1' ' A' ' 38' ' ' THR . 5.1 mt -103.02 145.91 11.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.547 172.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.605 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -139.07 172.91 12.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.759 1.266 . . . . 0.0 111.44 -171.325 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -156.47 151.1 25.76 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.616 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 1.027 HG12 ' HB ' ' A' ' 21' ' ' ILE . 6.9 p -124.28 120.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 122.124 0.964 . . . . 0.0 110.879 -174.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 p -129.54 113.78 15.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.706 0.765 . . . . 0.0 110.407 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.912 HG22 HG22 ' A' ' 33' ' ' ILE . 1.6 mt -123.82 126.15 72.22 Favored 'Isoleucine or valine' 0 C--O 1.257 1.493 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.932 -173.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -121.24 163.26 18.83 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.472 -1.392 . . . . 0.0 112.468 -168.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.479 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.3 p30 -87.68 -173.54 4.37 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 122.294 1.045 . . . . 0.0 110.995 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -26.74 46.36 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.288 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -96.29 24.36 5.82 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.962 -1.086 . . . . 0.0 112.661 -172.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.31 52.96 Favored Glycine 0 C--O 1.248 1.021 0 O-C-N 121.085 -1.009 . . . . 0.0 112.149 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.53 121.1 32.18 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.119 -1.224 . . . . 0.0 111.511 -174.079 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.522 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 34.6 t-20 -63.3 91.12 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.038 0.923 . . . . 0.0 110.482 173.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.513 HG11 ' O ' ' A' ' 91' ' ' LYS . 3.8 m -80.26 -22.45 11.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.879 0.847 . . . . 0.0 112.754 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.94 HD23 ' HB3' ' A' ' 22' ' ' PRO . 2.5 tp -165.17 141.44 5.57 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.155 0.979 . . . . 0.0 110.702 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.052 0.93 . . . . 0.0 111.071 -172.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HB2' HG13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -179.11 168.24 1.56 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.494 0.664 . . . . 0.0 110.835 173.575 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.891 HD11 ' HB3' ' A' ' 5' ' ' ASN . 7.2 mt -121.02 151.86 24.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 CA-C-O 121.628 0.728 . . . . 0.0 111.058 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.089 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 11.7 m-85 -135.68 166.27 23.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.821 0.819 . . . . 0.0 111.762 -174.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' A' ' 6' ' ' ALA . 2.9 m-20 -149.61 87.32 1.5 Allowed 'General case' 0 C--O 1.247 0.966 0 O-C-N 121.908 -0.495 . . . . 0.0 110.933 173.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.682 ' CD1' HD23 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -63.8 130.51 44.45 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.371 -0.83 . . . . 0.0 110.799 -177.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.538 ' N ' HD12 ' A' ' 100' ' ' LEU . 7.9 mttt -128.95 169.73 14.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.079 1.419 . . . . 0.0 112.137 -173.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 1.044 HG23 HD11 ' A' ' 13' ' ' LEU . 1.5 mm -122.11 150.18 25.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.759 170.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.523 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 10.7 tt0 . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 122.025 0.917 . . . . 0.0 111.045 -172.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.567 HD21 HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 122.918 1.342 . . . . 0.0 110.77 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.71 172.08 19.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 123.381 1.562 . . . . 0.0 112.765 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 1.09 HD22 ' CD2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -117.93 111.37 18.9 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.773 -176.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.25 93.97 5.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.318 1.056 . . . . 0.0 110.654 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.878 HG23 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -101.21 148.8 24.68 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.447 -173.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -139.43 152.52 47.11 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.71 -0.619 . . . . 0.0 111.016 -173.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.42 -176.49 32.57 Favored Glycine 0 C--O 1.239 0.462 0 CA-C-O 122.805 1.225 . . . . 0.0 112.243 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.472 ' C ' HD12 ' A' ' 102' ' ' ILE . . . -110.88 163.3 13.94 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.676 -0.897 . . . . 0.0 110.57 172.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.922 ' CD1' HG23 ' A' ' 102' ' ' ILE . 6.5 mp -77.31 136.96 38.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.928 1.347 . . . . 0.0 111.962 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.93 43.29 Favored Glycine 0 C--O 1.245 0.79 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.544 -175.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.902 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -135.86 129.28 32.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.334 1.064 . . . . 0.0 110.943 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -78.72 134.73 37.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.261 1.029 . . . . 0.0 110.798 -172.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.457 ' CG2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -131.02 144.41 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.045 0.926 . . . . 0.0 111.599 -172.235 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.846 ' O ' HD21 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -97.19 -174.23 2.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.696 1.236 . . . . 0.0 111.587 -173.596 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.146 HD11 ' HD2' ' A' ' 98' ' ' PHE . 1.2 mm? -151.53 78.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.706 -173.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.29 101.87 14.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.604 1.193 . . . . 0.0 110.308 -176.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 1.002 ' HB ' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -77.28 -80.71 0.04 OUTLIER Pre-proline 0 C--O 1.259 1.554 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.92 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.999 ' CD ' HG22 ' A' ' 21' ' ' ILE . 10.9 Cg_endo -90.74 161.01 4.18 Favored 'Trans proline' 0 N--CA 1.531 3.687 1 C-N-CA 126.979 5.119 . . . . 0.0 116.721 -172.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -92.07 23.75 3.61 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.712 169.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -94.16 176.21 6.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.335 1.064 . . . . 0.0 111.379 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -140.49 81.89 1.83 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.038 0.923 . . . . 0.0 110.84 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.421 ' HE2' ' O ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -54.26 156.62 3.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.0 0.905 . . . . 0.0 111.151 -173.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 t -141.65 -121.63 0.1 Allowed 'General case' 0 C--O 1.254 1.293 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.253 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -21.52 24.45 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 120.747 -1.221 . . . . 0.0 111.989 -173.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.488 ' O ' HG21 ' A' ' 88' ' ' THR . 3.7 m-20 -80.64 -26.9 37.41 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.0 -1.062 . . . . 0.0 113.184 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.778 HD13 HG22 ' A' ' 93' ' ' VAL . 3.0 mm -88.56 136.99 22.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.982 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.855 -174.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -133.28 -40.77 0.9 Allowed 'General case' 0 C--O 1.258 1.508 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.715 ' C ' HD11 ' A' ' 33' ' ' ILE . 72.2 m-20 -107.71 138.2 44.37 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 120.481 -1.387 . . . . 0.0 112.35 -171.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.862 ' HA ' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -120.19 158.63 22.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.027 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 172.746 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -155.15 146.06 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.316 1.532 . . . . 0.0 112.253 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.902 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 54.4 m95 -146.47 126.2 13.45 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.342 173.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -129.88 165.66 21.58 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.549 -0.72 . . . . 0.0 110.968 -173.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -88.34 99.67 12.42 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.467 -0.771 . . . . 0.0 109.548 172.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 1.017 HG22 HG21 ' A' ' 80' ' ' ILE . 1.2 p -35.61 -50.75 0.62 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -62.68 -73.87 0.1 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.616 0.722 . . . . 0.0 112.077 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.76 18.89 4.35 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -172.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.592 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 51.3 63.37 2.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.165 1.46 . . . . 0.0 110.121 172.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 44' ' ' ILE . 4.8 ttmt -118.54 88.87 3.01 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 123.061 1.41 . . . . 0.0 111.813 -172.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.561 ' HB2' ' CD ' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -45.27 102.22 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 173.568 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -93.16 -39.5 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 122.181 0.991 . . . . 0.0 110.962 179.054 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.741 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . . . -144.73 132.85 21.56 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.729 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.561 ' CD ' ' HB2' ' A' ' 43' ' ' LYS . 2.6 mt-30 -158.3 151.92 23.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.886 1.327 . . . . 0.0 112.217 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CD1' HG23 ' A' ' 53' ' ' THR . 1.2 m-30 -130.38 108.13 9.76 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.681 173.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -129.96 101.67 5.95 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.609 -0.682 . . . . 0.0 111.121 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.41 153.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.563 1.649 . . . . 0.0 110.47 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.61 40.02 0.87 Allowed 'General case' 0 C--O 1.25 1.093 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.347 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -116.45 -6.99 11.72 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.496 1.141 . . . . 0.0 114.028 172.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 6.6 tt0 176.99 119.43 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.989 -176.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.528 HG23 ' CD1' ' A' ' 47' ' ' PHE . 3.3 p -108.72 174.39 5.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.725 0.774 . . . . 0.0 111.001 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.426 ' HE2' ' O ' ' A' ' 43' ' ' LYS . 3.7 t80 -135.95 99.78 4.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.962 0.887 . . . . 0.0 111.38 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -155.39 68.83 0.68 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.072 0.939 . . . . 0.0 110.484 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -3.62 31.05 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.518 -172.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.646 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -156.77 146.07 20.44 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 120.822 -1.174 . . . . 0.0 111.34 177.305 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -68.07 -24.74 65.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.481 0.658 . . . . 0.0 112.707 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.646 HG23 ' HB2' ' A' ' 57' ' ' LYS . 9.1 t -49.85 -22.77 1.58 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.705 0.764 . . . . 0.0 110.745 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.692 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 2.5 m-30 -147.91 78.08 1.43 Allowed 'General case' 0 C--O 1.244 0.763 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 172.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.448 ' O ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -104.77 152.64 22.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.885 0.85 . . . . 0.0 111.875 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.741 ' CD2' ' HB3' ' A' ' 45' ' ' ALA . 4.4 mt -92.93 -177.09 4.4 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.784 0.802 . . . . 0.0 111.119 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 2.6 m-85 -144.2 167.33 22.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.915 0.864 . . . . 0.0 110.804 173.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' O ' ' HE2' ' A' ' 26' ' ' MET . 22.0 mttm -68.47 -31.56 70.94 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.654 0.74 . . . . 0.0 111.271 -177.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -89.55 11.26 20.08 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.679 -0.638 . . . . 0.0 112.247 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.58 63.87 Favored Glycine 0 C--O 1.252 1.231 0 O-C-N 120.791 -1.193 . . . . 0.0 113.18 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.716 HG23 ' CD1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -89.97 157.68 17.73 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 119.433 1.617 . . . . 0.0 111.201 -176.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.2 tp -126.42 152.39 46.43 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 121.581 -0.7 . . . . 0.0 110.415 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.725 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -132.04 157.63 43.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.945 0.879 . . . . 0.0 111.024 176.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.891 HG21 HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -134.86 113.75 16.65 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 110.886 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 21.4 tttm -85.31 137.61 32.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.615 0.721 . . . . 0.0 111.887 -173.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.65 ' O ' HD21 ' A' ' 73' ' ' LEU . 18.7 t60 59.91 97.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.475 1.607 . . . . 0.0 110.316 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.902 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 1.9 mm? -130.97 83.75 2.14 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -168.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.11 -175.48 4.82 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 120.856 -1.153 . . . . 0.0 110.459 167.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.1 m -61.29 -25.72 67.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.281 1.039 . . . . 0.0 112.179 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -37.0 51.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.053 0.93 . . . . 0.0 110.892 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.55 ' HB2' ' HA ' ' A' ' 73' ' ' LEU . 5.1 m-20 -74.19 -1.34 19.99 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.654 173.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.86 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -82.4 129.73 34.95 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 120.76 -1.212 . . . . 0.0 111.086 172.68 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.94 170.79 16.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.316 1.055 . . . . 0.0 111.337 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 1.017 HG21 HG22 ' A' ' 38' ' ' THR . 0.9 OUTLIER -90.18 139.14 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.601 173.535 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.999 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 25.5 m-85 -134.04 161.52 34.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.42 1.105 . . . . 0.0 110.911 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -146.5 136.18 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.796 0.807 . . . . 0.0 110.656 174.319 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 1.002 HG12 ' HB ' ' A' ' 21' ' ' ILE . 7.7 p -112.37 117.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 122.68 1.228 . . . . 0.0 111.086 -173.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.498 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 62.5 p -122.33 121.12 35.98 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.259 174.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.994 HD13 HG23 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -131.01 114.34 26.62 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 121.95 -0.469 . . . . 0.0 109.929 -172.692 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.51 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 5.4 m-30 -110.8 156.69 20.74 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.682 -1.261 . . . . 0.0 112.415 -167.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.766 ' HB3' HD12 ' A' ' 30' ' ' ILE . 9.9 p30 -81.33 -175.54 5.52 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 122.051 0.929 . . . . 0.0 111.176 174.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.488 HG21 ' O ' ' A' ' 29' ' ' ASP . 71.2 p -56.93 -32.31 65.83 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 121.629 -0.669 . . . . 0.0 112.21 -173.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -94.98 30.66 2.05 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.189 -0.944 . . . . 0.0 112.388 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.86 19.79 59.09 Favored Glycine 0 C--O 1.246 0.858 0 O-C-N 121.227 -0.921 . . . . 0.0 112.401 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 136.87 32.78 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.443 -1.034 . . . . 0.0 111.316 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.51 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.7 p30 -74.36 92.23 2.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.17 0.986 . . . . 0.0 110.786 173.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.778 HG22 HD13 ' A' ' 30' ' ' ILE . 1.9 m -77.27 -16.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.726 -178.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 22' ' ' PRO . 0.8 OUTLIER -179.64 149.04 0.36 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.821 0.82 . . . . 0.0 110.977 176.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.78 170.05 23.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.78 0.8 . . . . 0.0 110.995 -173.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -175.07 168.56 3.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.037 0.923 . . . . 0.0 111.084 179.149 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.567 HD11 HD21 ' A' ' 5' ' ' ASN . 0.0 OUTLIER -123.69 114.93 43.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-O 121.312 0.577 . . . . 0.0 110.979 -173.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.146 ' HD2' HD11 ' A' ' 19' ' ' LEU . 5.3 m-30 -111.75 173.21 6.46 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 120.979 -1.076 . . . . 0.0 112.039 -171.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -162.96 108.66 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.027 0.918 . . . . 0.0 110.965 -172.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.999 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -76.98 125.54 29.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.584 0.707 . . . . 0.0 110.86 -178.455 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 161.81 19.97 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 124.297 1.999 . . . . 0.0 113.77 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.922 HG23 ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -124.95 158.93 32.3 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.61 169.143 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.787 0 CA-C-O 123.113 1.435 . . . . 0.0 112.713 -171.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 C--O 1.238 0.462 0 CA-C-O 123.047 1.403 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.74 171.91 7.72 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.963 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.953 HD11 ' CE1' ' A' ' 98' ' ' PHE . 26.1 mt -124.62 108.25 11.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.177 0.989 . . . . 0.0 111.389 -173.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.73 107.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.86 0.838 . . . . 0.0 111.03 -175.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.4 137.63 50.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.628 0.728 . . . . 0.0 110.721 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -136.73 142.51 43.06 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 121.454 0.645 . . . . 0.0 111.306 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.601 ' HA3' HD11 ' A' ' 73' ' ' LEU . . . -160.44 132.05 2.82 Favored Glycine 0 C--O 1.243 0.7 0 O-C-N 121.251 -0.905 . . . . 0.0 111.78 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.48 155.28 29.71 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 121.456 -1.026 . . . . 0.0 110.512 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.589 ' CD1' HG23 ' A' ' 102' ' ' ILE . 6.1 mp -62.28 135.71 57.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.739 1.257 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.93 34.73 33.11 Favored Glycine 0 C--O 1.241 0.543 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.518 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.73 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -131.54 116.04 16.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.133 0.968 . . . . 0.0 110.825 -172.361 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -78.5 132.93 37.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.517 1.151 . . . . 0.0 110.889 -173.247 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.72 ' CD1' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -125.8 175.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 122.792 1.282 . . . . 0.0 112.177 -171.149 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.432 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -129.1 126.25 38.95 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.974 173.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.926 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.4 OUTLIER -79.72 102.3 8.92 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.845 0.831 . . . . 0.0 110.142 172.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.39 -155.98 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.952 0.882 . . . . 0.0 111.028 -171.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.95 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.0 151.26 10.41 Favored Pre-proline 0 C--O 1.242 0.707 0 CA-C-O 121.424 0.631 . . . . 0.0 110.766 -172.244 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.95 ' HD2' HG12 ' A' ' 21' ' ' ILE . 22.8 Cg_exo -43.93 177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.633 4.889 . . . . 0.0 115.491 176.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.32 31.84 0.98 Allowed 'General case' 0 C--O 1.246 0.903 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.68 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.82 149.63 23.65 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 121.379 -0.825 . . . . 0.0 110.75 173.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -134.07 119.74 19.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.865 0.84 . . . . 0.0 111.187 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.429 ' HB2' ' HB ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -59.42 170.35 1.02 Allowed 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.493 0.663 . . . . 0.0 110.919 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -131.37 -125.93 0.2 Allowed 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.546 -0.722 . . . . 0.0 110.444 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -90.75 -10.5 42.72 Favored 'General case' 0 C--O 1.261 1.665 0 O-C-N 120.617 -1.302 . . . . 0.0 112.553 -171.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.486 ' O ' HG21 ' A' ' 88' ' ' THR . 23.8 m-20 -108.37 -5.94 16.47 Favored 'General case' 0 C--O 1.258 1.534 0 O-C-N 120.344 -1.473 . . . . 0.0 113.784 -170.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 26' ' ' MET . 0.4 OUTLIER -81.24 130.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.74 -178.325 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.14 -30.33 1.76 Allowed 'General case' 0 C--O 1.257 1.496 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -113.15 149.8 33.09 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.697 -1.252 . . . . 0.0 111.217 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.116 HG23 HD13 ' A' ' 62' ' ' LEU . 4.1 mp -135.83 161.82 37.71 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.729 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 36' ' ' GLU . 14.3 ttpt -157.87 147.99 20.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.723 1.725 . . . . 0.0 112.818 173.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.926 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 47.7 m95 -147.61 109.62 4.5 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.082 173.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 5.3 tt0 -107.29 162.89 13.49 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.736 -0.603 . . . . 0.0 110.797 -173.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.7 ttpm? -90.04 83.26 6.08 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.561 -0.712 . . . . 0.0 109.638 173.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.649 ' HG1' HG21 ' A' ' 80' ' ' ILE . 1.1 p -22.49 -62.55 0.04 OUTLIER 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.134 1.373 . . . . 0.0 113.88 -169.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -54.78 24.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.937 0.875 . . . . 0.0 111.068 -175.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.48 -7.66 48.93 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -175.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt 48.45 48.69 19.07 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.621 -1.299 . . . . 0.0 111.009 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -119.99 97.07 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 123.305 1.526 . . . . 0.0 112.228 -173.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.793 ' HD3' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -45.49 102.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 CA-C-O 122.463 1.125 . . . . 0.0 111.589 173.523 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.928 HD11 ' CE1' ' A' ' 60' ' ' TYR . 7.5 pt -93.15 -26.06 4.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.576 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -154.04 144.06 21.96 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.453 -0.78 . . . . 0.0 110.794 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 6.0 pt20 -171.78 153.28 3.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.784 1.278 . . . . 0.0 112.055 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.985 ' CE1' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -120.71 115.75 23.93 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.803 173.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HG2' ' HG3' ' A' ' 49' ' ' LYS . 11.4 ttt85 -155.82 134.32 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.561 0.696 . . . . 0.0 110.659 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 1.5 mtpp 66.83 134.22 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.609 0.719 . . . . 0.0 110.537 -172.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.66 33.83 0.91 Allowed 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.571 -0.706 . . . . 0.0 111.892 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.5 -9.69 7.42 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 173.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 176.02 112.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.24 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.985 HG22 ' CE1' ' A' ' 47' ' ' PHE . 16.6 p -112.48 -176.63 2.96 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.626 0.727 . . . . 0.0 111.265 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.488 ' HB3' ' HG3' ' A' ' 46' ' ' GLN . 32.0 t80 -132.22 89.94 2.74 Favored 'General case' 0 C--O 1.251 1.183 0 O-C-N 121.626 -0.671 . . . . 0.0 111.192 -174.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.82 10.71 0.14 Allowed 'General case' 0 C--O 1.257 1.467 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -174.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.64 83.81 6.74 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 120.13 1.332 . . . . 0.0 112.028 -173.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.664 ' HB2' HG23 ' A' ' 59' ' ' THR . 7.1 ptmt 179.39 149.75 0.29 Allowed 'General case' 0 C--O 1.257 1.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.552 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HA ' ' HG3' ' A' ' 61' ' ' LYS . 4.9 m-20 -85.4 -28.64 24.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.325 1.059 . . . . 0.0 112.249 173.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.664 HG23 ' HB2' ' A' ' 57' ' ' LYS . 6.4 t -51.23 -32.61 24.68 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.307 174.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.928 ' CE1' HD11 ' A' ' 44' ' ' ILE . 87.1 m-85 -150.54 105.8 3.35 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.117 172.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -106.8 160.93 15.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.55 1.167 . . . . 0.0 111.656 178.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 1.116 HD13 HG23 ' A' ' 33' ' ' ILE . 2.5 tp -120.01 124.84 46.88 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 124.354 1.062 . . . . 0.0 110.387 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.892 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 59.9 m-85 -111.78 171.68 7.35 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.673 -1.267 . . . . 0.0 111.252 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.01 67.22 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.822 0.82 . . . . 0.0 110.965 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.755 ' O ' HG23 ' A' ' 21' ' ' ILE . 12.4 p30 -79.05 0.9 26.0 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 121.715 -0.616 . . . . 0.0 112.049 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 23.39 38.25 Favored Glycine 0 C--O 1.25 1.118 0 O-C-N 120.871 -1.143 . . . . 0.0 112.245 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.719 HG23 ' HD2' ' A' ' 63' ' ' PHE . 3.3 m -89.99 158.92 17.14 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.002 -1.293 . . . . 0.0 110.801 173.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.718 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 2.5 tp -133.74 104.21 6.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.036 0.922 . . . . 0.0 111.4 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.892 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 14.7 tttt -87.0 102.77 14.72 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 121.689 -0.632 . . . . 0.0 110.779 -173.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.72 HD12 ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -117.26 131.41 70.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 123.231 1.491 . . . . 0.0 109.402 -173.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 23.1 tttp -100.44 155.48 17.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.335 -171.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 60.61 107.21 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.207 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.6 tm? -134.91 69.91 1.45 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.5 -172.49 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.977 0.894 . . . . 0.0 110.623 168.571 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.448 ' HA ' HG13 ' A' ' 102' ' ' ILE . 64.4 m -55.52 -27.84 51.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.181 0.991 . . . . 0.0 112.546 175.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -30.22 30.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.113 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.66 11.12 40.04 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.453 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -90.66 85.35 6.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.84 -1.162 . . . . 0.0 111.138 174.14 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -100.53 171.42 7.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.239 1.019 . . . . 0.0 111.147 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.725 HG22 ' HB3' ' A' ' 99' ' ' ASP . 0.5 OUTLIER -95.55 147.67 5.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.868 172.698 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.861 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 59.3 m-85 -139.77 164.22 30.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.441 1.115 . . . . 0.0 111.607 -171.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 32.1 ttmt -153.69 131.82 11.84 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.927 0.87 . . . . 0.0 110.83 174.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.909 HG23 ' CD1' ' A' ' 85' ' ' ILE . 4.5 p -105.58 119.68 55.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 122.438 1.113 . . . . 0.0 111.356 -173.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.09 122.2 37.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.775 0.798 . . . . 0.0 110.303 173.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.909 ' CD1' HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -131.41 120.86 47.11 Favored 'Isoleucine or valine' 0 C--O 1.255 1.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.912 -173.353 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -118.03 168.57 10.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.897 1.332 . . . . 0.0 112.405 -167.714 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 9.1 p30 -89.19 -174.78 4.55 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.361 1.077 . . . . 0.0 110.998 176.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.486 HG21 ' O ' ' A' ' 29' ' ' ASP . 68.7 p -56.58 -24.07 44.98 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.421 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -99.38 25.47 6.93 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.952 -1.093 . . . . 0.0 112.581 -172.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.55 15.19 56.97 Favored Glycine 0 C--O 1.248 1.016 0 O-C-N 121.123 -0.986 . . . . 0.0 111.946 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 11.1 mttt -90.32 119.83 30.94 Favored 'General case' 0 C--O 1.246 0.891 0 O-C-N 121.174 -1.192 . . . . 0.0 111.45 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -60.46 93.47 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.381 1.086 . . . . 0.0 110.648 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 91' ' ' LYS . 1.6 m -84.92 -11.96 11.49 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.453 0.644 . . . . 0.0 112.422 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tp -167.08 149.5 6.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.106 0.955 . . . . 0.0 110.846 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.7 152.94 36.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.926 0.869 . . . . 0.0 111.099 -173.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 1.1 tptm -161.88 162.66 29.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.817 0.817 . . . . 0.0 111.079 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.1 mt -117.76 148.31 20.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.585 0.707 . . . . 0.0 110.978 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.953 ' CE1' HD11 ' A' ' 7' ' ' LEU . 6.4 m-85 -137.37 174.73 10.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.156 0.979 . . . . 0.0 111.116 -178.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.725 ' HB3' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -170.17 102.87 0.29 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.528 0.68 . . . . 0.0 111.019 174.142 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.806 HD12 HD23 ' A' ' 19' ' ' LEU . 1.2 tp -54.02 146.1 15.31 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.673 0.749 . . . . 0.0 111.044 174.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.453 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 0.2 OUTLIER -130.56 171.55 12.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.51 1.148 . . . . 0.0 111.342 173.538 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.589 HG23 ' CD1' ' A' ' 13' ' ' LEU . 32.5 mm -126.37 146.17 32.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.211 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.783 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -172.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.238 0.469 0 CA-C-O 123.081 1.42 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.62 171.34 8.64 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.02 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.984 HD11 ' CE2' ' A' ' 98' ' ' PHE . 13.8 mt -132.99 100.89 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.593 1.187 . . . . 0.0 111.364 -173.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.3 107.92 0.42 Allowed 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.037 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.505 ' HB ' HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -107.94 146.64 32.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.849 0.833 . . . . 0.0 110.98 176.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -142.92 147.4 35.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.647 0.736 . . . . 0.0 110.842 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.778 ' HA3' HD13 ' A' ' 73' ' ' LEU . . . -154.53 175.92 32.49 Favored Glycine 0 C--O 1.239 0.455 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -174.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.731 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -126.86 128.83 47.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.948 0.88 . . . . 0.0 111.04 -174.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.822 HD12 ' HB3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -46.86 122.18 4.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.372 1.558 . . . . 0.0 110.767 174.792 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.758 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 85.31 49.53 4.39 Favored Glycine 0 C--O 1.254 1.35 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.426 -172.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.801 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -142.0 -179.43 6.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 120.851 -1.381 . . . . 0.0 111.155 -173.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.801 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -135.75 121.32 19.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.232 1.015 . . . . 0.0 109.339 169.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.745 ' CG2' HD22 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -120.17 157.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.711 1.243 . . . . 0.0 112.719 -169.701 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.591 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.68 167.72 9.93 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 123.424 1.583 . . . . 0.0 112.081 173.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.874 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -123.48 90.54 3.3 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 124.328 1.051 . . . . 0.0 109.979 172.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -154.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.756 0.789 . . . . 0.0 111.238 -170.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 1.029 HD13 HD23 ' A' ' 94' ' ' LEU . 3.4 tp -169.56 155.21 5.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 121.383 0.611 . . . . 0.0 110.951 -172.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 1.01 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 23.1 Cg_exo -44.47 -172.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.303 1 C-N-CA 126.939 5.092 . . . . 0.0 115.465 174.084 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -87.88 30.94 0.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.574 -1.193 . . . . 0.0 112.186 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.678 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -121.14 139.46 53.32 Favored 'General case' 0 C--O 1.244 0.785 0 O-C-N 121.555 -0.716 . . . . 0.0 110.615 172.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.678 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -159.57 161.2 35.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.282 1.039 . . . . 0.0 111.437 -174.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.543 ' CE ' HD13 ' A' ' 33' ' ' ILE . 15.5 ptp -70.6 164.93 23.88 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.319 1.057 . . . . 0.0 112.718 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m -156.38 -109.14 0.03 OUTLIER 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.701 -0.625 . . . . 0.0 110.033 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -88.77 -15.28 35.07 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 121.503 -0.748 . . . . 0.0 112.181 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.48 -29.97 9.86 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.744 -1.223 . . . . 0.0 113.484 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -85.08 153.36 3.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 121.658 0.742 . . . . 0.0 110.965 -173.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.717 ' OD1' HG23 ' A' ' 88' ' ' THR . 0.3 OUTLIER -137.18 -29.56 0.89 Allowed 'General case' 0 C--O 1.261 1.708 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -172.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -124.98 153.0 43.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 120.572 1.533 . . . . 0.0 111.648 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.864 HG22 HG22 ' A' ' 85' ' ' ILE . 1.6 mt -133.72 160.11 42.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.895 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.839 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.749 ' HG3' ' HG2' ' A' ' 46' ' ' GLN . 6.1 tttm -158.73 144.03 16.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.467 1.603 . . . . 0.0 112.183 176.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.874 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 36.1 m95 -131.94 130.11 41.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.472 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.52 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 33.9 tt0 -114.58 159.46 20.4 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.608 -0.683 . . . . 0.0 110.873 -173.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.872 ' NZ ' ' HB2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -104.23 149.16 25.54 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.306 0.574 . . . . 0.0 109.971 -178.377 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 1.026 HG22 ' CG2' ' A' ' 80' ' ' ILE . 19.8 p -84.72 -53.0 5.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.725 0.774 . . . . 0.0 112.063 -172.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.5 m -44.98 -58.63 3.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.718 0.771 . . . . 0.0 112.095 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.872 ' HB2' ' NZ ' ' A' ' 37' ' ' LYS . 1.6 m-20 -105.88 -0.6 25.02 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HG3' ' OE2' ' A' ' 36' ' ' GLU . 31.2 tttt 57.52 58.58 3.7 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 120.923 -1.111 . . . . 0.0 110.307 -173.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.643 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.0 ttmt -142.04 141.56 32.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 123.747 1.737 . . . . 0.0 112.109 -172.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HB3' ' HE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.47 151.46 0.17 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 123.322 1.534 . . . . 0.0 112.802 -172.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.498 HD12 ' CD2' ' A' ' 81' ' ' TYR . 1.8 mt -128.69 -53.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 122.834 1.302 . . . . 0.0 110.624 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.81 ' CB ' HD12 ' A' ' 62' ' ' LEU . . . -149.71 145.08 26.49 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.397 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.749 ' HG2' ' HG3' ' A' ' 34' ' ' LYS . 14.4 mt-30 -156.13 157.61 36.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.56 1.648 . . . . 0.0 112.892 175.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.713 ' HE1' HG22 ' A' ' 53' ' ' THR . 3.7 m-85 -129.61 130.25 45.4 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.536 172.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -151.14 121.67 7.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.573 -0.704 . . . . 0.0 110.792 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.48 154.27 0.12 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.196 0.998 . . . . 0.0 110.356 -173.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.73 47.67 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.242 1.496 . . . . 0.0 110.686 172.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -124.63 -94.87 0.47 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.872 1.32 . . . . 0.0 109.105 -174.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -117.74 144.17 45.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.698 172.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.713 HG22 ' HE1' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -107.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.143 0.973 . . . . 0.0 112.012 -172.216 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.553 ' HE2' ' HB3' ' A' ' 43' ' ' LYS . 6.5 t80 -123.52 100.97 7.07 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.642 0.734 . . . . 0.0 111.263 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.08 107.43 4.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.747 0.784 . . . . 0.0 111.113 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.4 -38.87 48.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.755 0.788 . . . . 0.0 111.107 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.81 ' HB3' HG23 ' A' ' 59' ' ' THR . 15.0 tptt -165.62 172.64 11.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.797 0.808 . . . . 0.0 110.954 -174.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.87 -30.02 69.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.079 0.942 . . . . 0.0 112.364 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.81 HG23 ' HB3' ' A' ' 57' ' ' LYS . 8.8 t -50.69 -19.27 0.89 Allowed 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.989 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CE1' HG22 ' A' ' 70' ' ' ILE . 11.4 m-85 -150.45 101.48 2.96 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 121.391 -0.818 . . . . 0.0 111.261 172.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' ' 62' ' ' LEU . 6.2 tttp -133.29 148.43 51.93 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.937 -1.102 . . . . 0.0 112.359 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.81 HD12 ' CB ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -92.68 159.64 15.35 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.469 0.652 . . . . 0.0 111.432 -176.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.667 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 86.8 m-85 -129.07 176.65 7.73 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.932 0.872 . . . . 0.0 111.13 173.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.6 -38.61 77.35 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.317 -0.864 . . . . 0.0 111.019 -176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.545 ' O ' HG23 ' A' ' 21' ' ' ILE . 14.5 p30 -79.88 3.25 20.34 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.66 -0.65 . . . . 0.0 112.127 -174.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.68 23.72 48.97 Favored Glycine 0 C--O 1.251 1.16 0 O-C-N 120.85 -1.156 . . . . 0.0 112.284 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.602 HG23 ' CD2' ' A' ' 63' ' ' PHE . 2.3 m -90.22 160.86 15.99 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 120.92 -1.341 . . . . 0.0 110.925 173.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.865 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.9 tp -132.35 116.49 16.93 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.108 -0.995 . . . . 0.0 111.282 172.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.667 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 1.9 tptt -81.82 118.74 23.13 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.694 0.759 . . . . 0.0 111.283 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.829 HD12 ' HH ' ' A' ' 81' ' ' TYR . 2.3 mt -111.38 111.41 36.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.535 0.683 . . . . 0.0 110.189 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -80.31 152.6 28.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.804 0.811 . . . . 0.0 110.943 175.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CE1' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER 61.58 122.07 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.671 1.701 . . . . 0.0 110.897 -172.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.778 HD13 ' HA3' ' A' ' 11' ' ' GLY . 2.6 tm? -135.62 61.74 1.65 Allowed 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.995 1.379 . . . . 0.0 111.639 -171.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.822 ' HB3' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.0 -175.0 2.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 122.827 1.299 . . . . 0.0 112.498 173.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.4 m -56.98 -28.29 62.21 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.161 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.06 -43.69 14.84 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.209 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.77 -13.09 62.11 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.87 -0.519 . . . . 0.0 111.856 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.469 ' CB ' HG12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -82.4 115.79 21.58 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.02 -1.05 . . . . 0.0 111.003 -178.226 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.9 177.33 8.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.444 1.116 . . . . 0.0 111.167 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 1.026 ' CG2' HG22 ' A' ' 38' ' ' THR . 8.0 mt -101.53 149.37 6.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.86 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 172.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 1.042 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 16.3 m-85 -139.85 172.82 12.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 122.017 0.913 . . . . 0.0 110.967 -171.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -151.39 122.28 7.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.942 0.877 . . . . 0.0 110.834 173.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.503 ' HB ' ' CZ2' ' A' ' 35' ' ' TRP . 4.6 p -97.3 115.55 37.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.683 1.23 . . . . 0.0 111.121 -173.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.454 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -123.29 111.7 16.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.713 0.768 . . . . 0.0 110.354 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.864 HG22 HG22 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -124.73 124.9 68.99 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.853 -173.029 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.775 ' O ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.08 -179.94 3.98 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 120.467 -1.396 . . . . 0.0 112.51 -167.824 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.774 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.4 p-10 -99.32 -168.5 1.62 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.296 1.046 . . . . 0.0 110.688 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.717 HG23 ' OD1' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -62.98 -34.2 77.02 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.329 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -92.34 15.45 13.82 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.643 -0.66 . . . . 0.0 112.392 -173.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.83 23.43 78.01 Favored Glycine 0 C--O 1.25 1.131 0 O-C-N 120.862 -1.149 . . . . 0.0 112.568 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.774 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 5.7 mmmt -90.66 125.11 35.56 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 121.024 -1.28 . . . . 0.0 111.22 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.429 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.54 88.89 0.14 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.82 0.819 . . . . 0.0 110.32 172.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.509 HG11 ' O ' ' A' ' 91' ' ' LYS . 6.2 m -84.51 -26.82 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 122.433 1.111 . . . . 0.0 112.363 -173.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 1.029 HD23 HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -138.93 143.29 38.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.569 1.176 . . . . 0.0 110.189 176.155 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.869 ' N ' HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -158.66 152.03 22.89 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.431 -172.479 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.78 ' HG3' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -174.13 150.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.007 0.908 . . . . 0.0 110.991 -178.648 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.5 151.34 7.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.984 ' CE2' HD11 ' A' ' 7' ' ' LEU . 2.8 m-85 -134.9 166.11 23.76 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.592 -0.693 . . . . 0.0 111.101 -176.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.734 ' OD2' HG12 ' A' ' 80' ' ' ILE . 3.5 m-20 -149.68 90.16 1.68 Allowed 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.608 -0.683 . . . . 0.0 111.236 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 1.042 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -66.05 125.94 27.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.843 0.83 . . . . 0.0 110.747 177.428 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 166.67 16.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.653 1.216 . . . . 0.0 112.091 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.605 ' CD1' HD12 ' A' ' 73' ' ' LEU . 4.3 mm -124.0 144.38 33.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.805 170.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 26.8 tt0 . . . . . 0 C--N 1.318 -0.77 0 CA-C-O 124.98 2.324 . . . . 0.0 110.453 -172.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.521 ' O ' HD11 ' A' ' 97' ' ' ILE . 13.5 p30 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 121.28 0.562 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.06 172.75 14.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 123.296 1.522 . . . . 0.0 112.22 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 1.1 HD22 ' CE2' ' A' ' 98' ' ' PHE . 15.7 tp -139.32 122.01 16.39 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.934 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 117.79 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.522 0.677 . . . . 0.0 111.083 175.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HB ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -118.83 116.18 25.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.644 0.735 . . . . 0.0 110.557 -176.694 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -104.01 156.13 18.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.195 0.998 . . . . 0.0 112.501 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 103' ' ' GLN . . . -160.31 -174.49 30.17 Favored Glycine 0 C--O 1.239 0.446 0 CA-C-O 122.378 0.988 . . . . 0.0 111.595 173.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.0 158.83 43.34 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 121.739 -0.859 . . . . 0.0 110.389 173.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CD1' HG23 ' A' ' 102' ' ' ILE . 3.5 mp -79.31 138.06 37.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.712 1.72 . . . . 0.0 113.186 -172.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.93 34.33 38.54 Favored Glycine 0 N--CA 1.466 0.65 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -173.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 4.0 tp60 -164.58 152.95 12.47 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 124.679 2.18 . . . . 0.0 115.13 -168.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.557 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -79.39 157.32 27.63 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 123.506 1.622 . . . . 0.0 112.546 -171.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.446 HD13 ' HB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -146.04 139.47 20.82 Favored 'Isoleucine or valine' 0 C--O 1.25 1.094 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.96 172.694 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -104.27 158.35 16.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.56 1.648 . . . . 0.0 112.593 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.117 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -117.65 69.07 0.77 Allowed 'General case' 0 C--O 1.242 0.704 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.703 -177.124 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.41 104.54 14.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.508 1.147 . . . . 0.0 109.867 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 1.002 HG22 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -96.36 -54.75 0.21 Allowed Pre-proline 0 C--O 1.264 1.853 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -169.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 1.002 ' HD3' HG22 ' A' ' 21' ' ' ILE . 25.3 Cg_endo -80.45 142.27 14.63 Favored 'Trans proline' 1 N--CA 1.536 4.009 1 C-N-CA 126.124 4.549 . . . . 0.0 117.893 -170.728 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 t -93.69 21.37 6.49 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 124.08 0.952 . . . . 0.0 111.06 172.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -123.33 172.27 8.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.212 1.006 . . . . 0.0 111.735 -170.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.2 106.57 6.44 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.892 0.853 . . . . 0.0 110.882 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.17 159.93 1.18 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.306 1.05 . . . . 0.0 111.282 -173.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.71 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.8 1.286 . . . . 0.0 112.053 -173.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.58 -98.22 0.03 OUTLIER 'General case' 0 C--O 1.254 1.332 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.937 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.867 ' O ' HG21 ' A' ' 88' ' ' THR . 3.8 m-20 -127.44 16.98 7.06 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.834 -1.166 . . . . 0.0 112.46 -172.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.46 HD11 HG22 ' A' ' 93' ' ' VAL . 9.5 mm -64.38 124.71 19.71 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 O-C-N 120.989 -1.069 . . . . 0.0 110.693 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -123.82 -39.16 2.42 Favored 'General case' 0 C--O 1.258 1.532 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -172.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' O ' HG21 ' A' ' 85' ' ' ILE . 4.7 m-20 -111.46 151.04 29.04 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.535 -1.353 . . . . 0.0 111.868 -171.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.87 ' HA ' HG22 ' A' ' 85' ' ' ILE . 2.5 mt -140.76 117.01 7.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.815 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.31 150.79 39.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.595 1.188 . . . . 0.0 111.371 -173.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 1.117 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.3 m95 -146.43 117.21 7.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.644 173.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.59 ' C ' HD11 ' A' ' 44' ' ' ILE . 4.0 mt-10 -105.2 162.28 13.54 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.397 0.618 . . . . 0.0 110.8 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.922 ' HB2' HD13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -101.09 107.93 19.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.624 0.726 . . . . 0.0 109.806 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 1.112 ' CG2' HG21 ' A' ' 80' ' ' ILE . 6.4 p -50.38 -35.11 26.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.269 -171.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.4 m -53.37 -76.02 0.03 OUTLIER 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.561 0.696 . . . . 0.0 111.35 -173.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.551 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -95.95 12.26 31.0 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 121.657 -0.652 . . . . 0.0 111.974 -177.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.38 56.14 8.13 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.986 -1.071 . . . . 0.0 110.219 -173.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.694 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.1 mmmt -134.8 128.82 33.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.977 1.37 . . . . 0.0 111.221 -173.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -43.08 152.65 0.11 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 123.923 1.82 . . . . 0.0 113.413 -172.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.922 HD13 ' HB2' ' A' ' 37' ' ' LYS . 39.8 mt -130.65 -49.31 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 122.744 1.259 . . . . 0.0 110.595 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.429 ' HB2' HD12 ' A' ' 68' ' ' LEU . . . -154.37 134.4 13.11 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.341 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.469 ' HG3' ' HD2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -154.51 145.86 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.062 1.411 . . . . 0.0 112.627 -173.685 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.579 ' HD1' HG23 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.1 137.47 49.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.59 172.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.61 86.58 0.31 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.486 0.66 . . . . 0.0 110.89 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 65.85 155.67 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.541 1.162 . . . . 0.0 110.131 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.79 44.32 1.11 Allowed 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.33 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -109.64 -10.09 14.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.742 1.258 . . . . 0.0 113.937 172.381 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 37.2 tt0 169.4 125.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.863 -174.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.579 HG23 ' HD1' ' A' ' 47' ' ' PHE . 5.1 p -136.99 162.33 33.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.025 0.917 . . . . 0.0 111.234 -175.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 46' ' ' GLN . 0.3 OUTLIER -113.76 103.93 11.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.822 0.82 . . . . 0.0 110.947 -179.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -153.84 97.57 2.1 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.54 -54.67 6.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.577 0.703 . . . . 0.0 111.31 -175.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 176.69 12.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.331 1.063 . . . . 0.0 110.816 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . 11.5 m-20 -60.29 -35.63 75.99 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.895 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.444 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 89.3 m -54.04 -16.78 2.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.367 -173.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.627 ' HE1' ' CE1' ' A' ' 81' ' ' TYR . 28.2 m-85 -147.79 88.71 1.7 Allowed 'General case' 0 C--O 1.251 1.173 0 O-C-N 121.652 -0.655 . . . . 0.0 110.538 173.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.846 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -106.06 159.58 15.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.238 1.494 . . . . 0.0 112.156 -172.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.736 HD13 HG21 ' A' ' 33' ' ' ILE . 13.4 tp -117.53 129.81 56.03 Favored 'General case' 0 C--O 1.251 1.142 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.611 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.846 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 22.3 m-30 -101.68 174.01 6.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.294 1.045 . . . . 0.0 111.214 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -72.73 -33.62 66.52 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-O 121.735 0.779 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -84.56 2.98 38.8 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 121.829 -0.545 . . . . 0.0 112.185 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.698 ' HA2' HG23 ' A' ' 33' ' ' ILE . . . 87.19 18.3 57.72 Favored Glycine 0 C--O 1.251 1.186 0 O-C-N 120.822 -1.174 . . . . 0.0 112.774 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.656 ' HB ' ' HD2' ' A' ' 63' ' ' PHE . 2.8 m -90.14 146.88 23.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.851 -1.382 . . . . 0.0 110.921 173.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.727 HD22 ' HG ' ' A' ' 19' ' ' LEU . 1.4 tp -120.93 127.64 52.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 110.911 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.18 145.22 30.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.022 0.915 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.7 HG21 ' OD2' ' A' ' 77' ' ' ASP . 4.3 mt -112.75 98.76 7.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 171.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.453 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 24.1 tttt -77.11 134.82 38.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 124.038 1.875 . . . . 0.0 115.586 -167.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.7 t60 39.67 90.68 0.01 OUTLIER 'General case' 0 C--O 1.252 1.206 0 C-N-CA 125.886 1.674 . . . . 0.0 114.716 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.783 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -179.37 175.87 0.88 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 125.586 2.612 . . . . 0.0 114.975 170.7 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.606 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.51 -155.96 0.51 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-N 113.663 -1.608 . . . . 0.0 113.112 -172.757 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.467 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.7 m -45.4 -27.29 0.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 0.0 112.712 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -49.13 73.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.783 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 1.1 m-20 -70.83 -11.34 60.9 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.142 173.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 1.063 ' HG2' ' HB2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.92 100.72 13.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.621 1.2 . . . . 0.0 110.305 178.553 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.892 ' C ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -135.4 168.99 18.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.95 1.357 . . . . 0.0 111.563 178.701 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 1.112 HG21 ' CG2' ' A' ' 38' ' ' THR . 96.4 mt -84.45 142.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 122.65 1.214 . . . . 0.0 110.699 175.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.745 ' CA ' HG21 ' A' ' 38' ' ' THR . 96.8 m-85 -137.38 168.76 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.941 0.877 . . . . 0.0 110.849 -172.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.476 ' HG3' HG22 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -150.45 135.58 17.78 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 121.445 0.641 . . . . 0.0 110.429 173.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 1.001 HG22 HG23 ' A' ' 21' ' ' ILE . 1.4 p -117.74 128.32 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.596 1.189 . . . . 0.0 111.535 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.783 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 61.4 p -134.65 106.91 7.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.779 0.8 . . . . 0.0 110.494 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.87 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.1 mm -110.78 119.17 58.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.72 -173.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.783 ' HE1' ' HB2' ' A' ' 84' ' ' SER . 1.0 OUTLIER -110.03 171.02 7.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.905 1.336 . . . . 0.0 112.601 -167.475 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.667 ' HB3' HG12 ' A' ' 93' ' ' VAL . 41.3 p-10 -93.99 -168.4 1.87 Allowed 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.857 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.867 HG21 ' O ' ' A' ' 29' ' ' ASP . 36.8 p -59.46 -28.23 66.8 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.988 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -90.71 3.85 53.15 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 121.167 -0.958 . . . . 0.0 112.62 -173.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.08 1.94 90.45 Favored Glycine 0 C--O 1.252 1.275 0 O-C-N 120.734 -1.229 . . . . 0.0 112.75 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.748 -1.442 . . . . 0.0 111.902 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.508 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -72.45 86.06 1.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.819 0.819 . . . . 0.0 110.315 172.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 87' ' ' ASP . 1.7 m -77.31 -23.3 14.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.277 1.036 . . . . 0.0 112.629 -172.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.947 HD12 ' N ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -147.97 145.38 28.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.181 0.991 . . . . 0.0 109.598 173.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.947 ' N ' HD12 ' A' ' 94' ' ' LEU . 2.1 tm-20 -155.03 164.97 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.271 1.51 . . . . 0.0 112.899 -171.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.562 ' N ' ' HG2' ' A' ' 95' ' ' GLU . 5.3 mttp -178.4 158.1 1.08 Allowed 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.746 173.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.535 ' C ' ' HD1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -112.7 159.57 12.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 O-C-N 121.631 -0.668 . . . . 0.0 110.473 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.1 ' CE2' HD22 ' A' ' 7' ' ' LEU . 3.8 m-85 -138.48 168.5 19.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.763 1.268 . . . . 0.0 113.082 -171.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.77 ' CG ' HG12 ' A' ' 80' ' ' ILE . 4.0 t0 -157.36 113.85 2.95 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 122.609 1.195 . . . . 0.0 112.04 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 1.063 ' HB2' ' HG2' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -42.48 160.92 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.88 1.8 . . . . 0.0 115.38 173.253 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.859 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 4.3 mmpt? -159.79 171.37 19.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.261 -1.336 . . . . 0.0 110.582 165.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.788 HG23 ' CD1' ' A' ' 13' ' ' LEU . 3.3 mm -150.76 138.21 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 122.427 1.108 . . . . 0.0 109.491 169.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 11' ' ' GLY . 15.4 pt20 . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 122.799 1.285 . . . . 0.0 111.966 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.612 ' O ' HD11 ' A' ' 97' ' ' ILE . 35.4 m-80 . . . . . 0 CA--C 1.511 -0.549 0 CA-C-O 122.019 0.914 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.4 172.9 17.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.248 1.023 . . . . 0.0 111.142 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.9 HD22 ' CD2' ' A' ' 98' ' ' PHE . 49.3 tp -138.58 95.94 3.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.886 0.85 . . . . 0.0 110.949 -176.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 103.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.851 0.834 . . . . 0.0 110.901 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.746 HG23 ' HA ' ' A' ' 100' ' ' LEU . 1.2 m -109.26 140.05 43.41 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.424 0.63 . . . . 0.0 110.502 -177.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.448 ' CE2' ' HD2' ' A' ' 101' ' ' LYS . 86.0 m95 -137.9 141.5 40.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.786 0.803 . . . . 0.0 111.659 -172.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.79 -136.95 2.94 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.889 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -169.01 146.72 3.75 Favored 'General case' 0 C--O 1.241 0.65 0 O-C-N 121.647 -0.914 . . . . 0.0 111.579 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.006 HD12 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -66.33 122.17 16.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.959 1.838 . . . . 0.0 110.212 172.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.9 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 94.04 32.05 7.73 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.889 ' HG3' ' HB2' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -117.59 -173.96 2.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 124.568 2.128 . . . . 0.0 114.326 -169.553 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.56 120.59 6.68 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.966 171.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.687 HG21 HD13 ' A' ' 73' ' ' LEU . 15.5 tt -149.2 163.59 4.33 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.713 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -113.03 161.33 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.732 1.73 . . . . 0.0 112.859 -172.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.073 HD21 HD13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -102.27 122.47 44.28 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.841 173.186 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.01 -155.23 0.46 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.979 0.895 . . . . 0.0 111.106 -171.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.954 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -168.95 150.58 4.53 Favored Pre-proline 0 C--O 1.245 0.835 0 CA-C-O 121.388 0.614 . . . . 0.0 110.584 -173.427 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 1.036 ' HG3' HD23 ' A' ' 94' ' ' LEU . 10.0 Cg_endo -46.84 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 127.041 5.161 . . . . 0.0 114.565 176.208 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.06 29.92 0.8 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.566 -174.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.71 123.99 49.85 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 121.647 -0.658 . . . . 0.0 110.06 171.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.96 151.08 39.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.58 1.181 . . . . 0.0 111.203 -172.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.891 ' HG2' HD11 ' A' ' 30' ' ' ILE . 2.5 mtp -89.58 164.77 14.63 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.997 0.903 . . . . 0.0 110.996 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 p -156.41 -120.86 0.03 OUTLIER 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.113 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.46 20.26 4.67 Favored 'General case' 0 C--O 1.254 1.305 0 O-C-N 120.842 -1.161 . . . . 0.0 111.828 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.545 ' O ' HG21 ' A' ' 88' ' ' THR . 97.7 m-20 -124.22 -45.46 1.97 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.532 1.158 . . . . 0.0 112.816 -173.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.891 HD11 ' HG2' ' A' ' 26' ' ' MET . 1.2 mt -73.1 135.53 27.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.691 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -21.25 4.37 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 86' ' ' TYR . 5.2 t70 -122.81 143.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 123.059 1.409 . . . . 0.0 111.977 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.997 HG22 ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -132.38 155.65 41.63 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.487 173.501 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.623 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 4.9 mttp -157.61 142.63 16.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 123.254 1.502 . . . . 0.0 111.767 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.877 ' HB3' HD21 ' A' ' 68' ' ' LEU . 38.3 m95 -142.34 120.82 12.44 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.55 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CG ' ' HA ' ' A' ' 43' ' ' LYS . 3.4 mt-10 -131.71 176.81 8.01 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 121.5 -0.75 . . . . 0.0 111.12 -173.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.707 ' HG3' HD13 ' A' ' 44' ' ' ILE . 1.0 OUTLIER -86.36 141.15 29.41 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 121.573 -0.705 . . . . 0.0 109.692 172.002 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 1.075 ' CG2' HG21 ' A' ' 80' ' ' ILE . 25.8 p -69.11 -58.36 4.18 Favored 'General case' 0 C--O 1.244 0.789 0 O-C-N 121.316 -0.865 . . . . 0.0 111.457 -170.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.01 -35.13 10.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.119 0.961 . . . . 0.0 110.776 -173.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.14 -28.89 68.51 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.733 0.777 . . . . 0.0 110.923 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp 55.49 60.2 3.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.944 0.878 . . . . 0.0 110.756 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.665 ' HB3' ' HD3' ' A' ' 37' ' ' LYS . 5.5 tttt -138.76 121.37 16.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.521 1.153 . . . . 0.0 111.468 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 36' ' ' GLU . 10.3 mttp -49.33 158.84 0.36 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.781 1.277 . . . . 0.0 111.876 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.83 HG22 ' CG ' ' A' ' 60' ' ' TYR . 47.1 mt -138.51 -50.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 123.15 1.452 . . . . 0.0 110.511 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.754 ' CB ' HD12 ' A' ' 62' ' ' LEU . . . -151.2 131.38 13.55 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 -176.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.623 ' HG3' ' HG2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -162.3 141.97 9.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.236 1.493 . . . . 0.0 113.225 -172.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.834 ' CD1' HG22 ' A' ' 53' ' ' THR . 0.3 OUTLIER -126.06 120.11 29.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.372 172.381 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.783 ' H ' HG23 ' A' ' 53' ' ' THR . 8.4 ttm180 -138.33 96.27 3.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.388 -0.82 . . . . 0.0 111.16 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? 68.38 156.88 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.625 1.202 . . . . 0.0 110.269 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.89 38.34 0.8 Allowed 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.045 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.84 -7.93 9.93 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 172.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 50.5 tt0 176.29 113.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.068 -174.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.834 HG22 ' CD1' ' A' ' 47' ' ' PHE . 30.4 p -148.74 168.96 21.52 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.658 0.742 . . . . 0.0 110.952 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -160.13 132.84 6.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 -173.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -170.15 33.43 0.02 OUTLIER 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.811 -0.556 . . . . 0.0 111.408 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -90.14 83.15 6.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.844 0.83 . . . . 0.0 111.388 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.9 mtmt 179.67 129.66 0.08 Allowed 'General case' 0 C--O 1.251 1.181 0 O-C-N 121.889 -0.507 . . . . 0.0 110.875 173.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.16 -35.01 61.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.542 1.163 . . . . 0.0 111.262 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 57.3 m -52.03 -26.19 10.27 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.356 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.83 ' CG ' HG22 ' A' ' 44' ' ' ILE . 1.6 m-30 -151.06 93.84 1.98 Allowed 'General case' 0 C--O 1.26 1.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 174.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.682 ' O ' HD11 ' A' ' 68' ' ' LEU . 6.6 ttpt -134.85 150.28 50.45 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.613 -1.304 . . . . 0.0 113.243 -173.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.754 HD12 ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.19 168.48 12.71 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.854 0.862 . . . . 0.0 111.22 -176.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 1.071 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 69.6 m-85 -135.2 176.66 8.46 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.101 -0.999 . . . . 0.0 111.05 172.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.47 83.39 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.778 0.799 . . . . 0.0 111.002 177.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.59 ' O ' HG23 ' A' ' 21' ' ' ILE . 19.0 p30 -86.24 7.68 24.22 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 121.761 -0.587 . . . . 0.0 112.141 -174.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.56 22.27 58.65 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.879 -1.138 . . . . 0.0 112.577 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.598 HG23 ' CD1' ' A' ' 63' ' ' PHE . 1.1 m -90.21 146.08 24.53 Favored 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.015 -1.285 . . . . 0.0 110.874 173.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.877 HD21 ' HB3' ' A' ' 35' ' ' TRP . 48.6 tp -112.78 102.46 10.49 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.627 -0.671 . . . . 0.0 111.786 173.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 1.071 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 7.8 tttp -78.98 120.31 23.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.336 -0.852 . . . . 0.0 111.284 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 1.073 HD13 HD21 ' A' ' 19' ' ' LEU . 7.8 mt -108.05 108.08 24.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.011 0.91 . . . . 0.0 110.268 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -98.3 145.88 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.792 0.806 . . . . 0.0 112.686 -172.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.531 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 8.6 t-160 60.6 109.82 0.02 OUTLIER 'General case' 0 C--O 1.244 0.81 0 CA-C-O 122.492 1.139 . . . . 0.0 111.964 177.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 1.126 ' HB3' ' CB ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -140.83 -176.52 4.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 123.762 1.744 . . . . 0.0 112.112 -176.418 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 1.006 ' HB3' HD12 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -153.41 -142.92 0.12 Allowed 'General case' 0 C--O 1.245 0.846 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.806 172.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.463 ' N ' ' HB2' ' A' ' 13' ' ' LEU . 17.2 m -79.53 -25.5 41.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 123.548 1.642 . . . . 0.0 110.449 164.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -82.55 -15.91 50.53 Favored 'General case' 0 C--O 1.263 1.792 0 C-N-CA 124.44 1.096 . . . . 0.0 112.92 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 1.126 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 15.4 t70 -69.89 -29.25 66.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 120.319 1.418 . . . . 0.0 110.549 173.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.596 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 6.5 tt0 -50.07 129.85 21.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.685 1.231 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 1.1 t70 -163.16 168.37 20.87 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.164 0.983 . . . . 0.0 110.763 175.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 1.075 HG21 ' CG2' ' A' ' 38' ' ' THR . 2.4 mp -96.31 146.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.381 1.086 . . . . 0.0 110.372 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.753 ' CD2' HD23 ' A' ' 19' ' ' LEU . 47.6 m-85 -140.66 164.21 30.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.805 0.812 . . . . 0.0 110.693 -171.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.56 134.38 12.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 121.664 0.745 . . . . 0.0 110.58 173.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.942 HG13 ' CE1' ' A' ' 98' ' ' PHE . 5.7 p -107.86 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 122.498 1.142 . . . . 0.0 111.226 -173.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.518 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -120.73 118.03 29.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.766 0.827 . . . . 0.0 110.317 175.664 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.997 ' CG2' HG22 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -129.9 119.44 47.33 Favored 'Isoleucine or valine' 0 C--O 1.247 0.964 0 O-C-N 121.821 -0.55 . . . . 0.0 110.052 -173.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.532 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 1.4 m-85 -113.57 159.67 19.36 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.725 1.25 . . . . 0.0 112.775 -168.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -84.25 -171.64 3.73 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.12 0.962 . . . . 0.0 111.065 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.545 HG21 ' O ' ' A' ' 29' ' ' ASP . 71.1 p -56.2 -36.55 68.53 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.084 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -86.27 20.14 2.48 Favored 'General case' 0 C--O 1.254 1.313 0 O-C-N 121.207 -0.933 . . . . 0.0 112.685 -172.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.6 11.79 60.54 Favored Glycine 0 C--O 1.25 1.117 0 O-C-N 120.883 -1.136 . . . . 0.0 112.192 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -87.26 134.84 33.5 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.935 -1.332 . . . . 0.0 111.305 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.532 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -72.46 87.46 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.179 0.99 . . . . 0.0 110.537 173.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.408 HG22 HD13 ' A' ' 30' ' ' ILE . 3.9 m -75.95 -22.02 15.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.195 0.998 . . . . 0.0 112.387 -173.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 1.036 HD23 ' HG3' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -154.94 144.38 21.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.439 1.114 . . . . 0.0 110.748 173.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.793 ' H ' HD21 ' A' ' 94' ' ' LEU . 5.3 pt-20 -155.51 147.16 23.07 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.417 -174.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.742 ' HD3' ' HD3' ' A' ' 22' ' ' PRO . 26.6 tttt -165.91 160.19 16.55 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.503 1.144 . . . . 0.0 111.47 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.612 HD11 ' O ' ' A' ' 5' ' ' ASN . 3.0 mt -112.56 140.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.167 0.984 . . . . 0.0 110.814 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.942 ' CE1' HG13 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -134.41 154.68 51.25 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.884 -173.073 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.651 ' OD1' HG22 ' A' ' 80' ' ' ILE . 3.4 m-20 -142.34 86.46 1.96 Allowed 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.477 -0.764 . . . . 0.0 111.167 -172.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.746 ' HA ' HG23 ' A' ' 9' ' ' THR . 4.0 tp -70.03 119.43 14.22 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.39 -0.819 . . . . 0.0 110.871 -175.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.596 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 24.4 mttm -116.48 174.45 6.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 123.221 1.486 . . . . 0.0 111.864 -173.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.699 HG22 ' HA ' ' A' ' 12' ' ' ALA . 5.9 mm -134.57 143.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.762 170.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 122.794 1.283 . . . . 0.0 111.8 -170.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.484 0 CA-C-O 123.056 1.408 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.04 175.72 5.38 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.183 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.853 HD11 ' CE2' ' A' ' 98' ' ' PHE . 11.6 mt -106.16 104.71 14.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.865 0.84 . . . . 0.0 110.938 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.34 110.15 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.636 0.731 . . . . 0.0 111.123 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 1.0 HG22 HD21 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -115.14 128.98 56.54 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 179.141 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -123.39 149.72 44.62 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 121.646 -0.659 . . . . 0.0 110.881 -173.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.06 -175.78 31.42 Favored Glycine 0 C--O 1.239 0.433 0 CA-C-O 122.796 1.22 . . . . 0.0 112.367 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.62 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -115.18 170.65 8.21 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 121.671 -0.899 . . . . 0.0 110.744 173.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.853 ' CD1' HG23 ' A' ' 102' ' ' ILE . 5.1 mp -80.01 132.5 36.01 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.25 1.024 . . . . 0.0 112.378 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 37.34 23.74 Favored Glycine 0 N--CA 1.468 0.776 0 CA-C-O 123.32 1.511 . . . . 0.0 109.381 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.62 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 6.1 tt0 -131.74 132.09 43.56 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.756 1.265 . . . . 0.0 113.106 -170.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.55 134.53 36.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.899 176.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.875 ' CG2' HD23 ' A' ' 100' ' ' LEU . 5.9 tp -139.59 156.58 26.42 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 CA-C-O 121.333 0.587 . . . . 0.0 110.698 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.837 ' O ' HD22 ' A' ' 19' ' ' LEU . 2.5 m120 -116.54 -179.27 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.626 1.679 . . . . 0.0 112.465 -172.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.889 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 30.0 mt -139.39 127.52 22.47 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.742 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -119.51 116.77 26.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.898 1.332 . . . . 0.0 111.958 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.574 ' CG1' ' HD2' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -78.8 151.05 76.34 Favored Pre-proline 0 C--O 1.24 0.554 0 CA-C-O 122.029 0.919 . . . . 0.0 111.546 175.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.574 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 36.6 Cg_exo -46.3 -174.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.351 1 C-N-CA 127.158 5.238 . . . . 0.0 115.487 174.306 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -89.37 30.8 0.95 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.364 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.796 ' O ' HD21 ' A' ' 94' ' ' LEU . 8.2 m-30 -128.06 83.46 2.16 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 121.445 -0.784 . . . . 0.0 110.217 172.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 170.83 9.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.47 1.128 . . . . 0.0 111.639 -172.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.803 ' HE1' HD13 ' A' ' 33' ' ' ILE . 3.3 ptp -57.62 155.03 10.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.049 0.928 . . . . 0.0 111.069 -175.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -173.57 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 123.027 1.394 . . . . 0.0 110.892 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.68 -70.06 0.31 Allowed 'General case' 0 C--O 1.247 0.972 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.652 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -139.22 23.97 2.53 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 121.043 -1.035 . . . . 0.0 112.353 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 26' ' ' MET . 0.5 OUTLIER -79.15 133.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 121.052 -1.03 . . . . 0.0 110.555 173.623 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.95 -26.67 2.87 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -172.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.485 ' O ' HG21 ' A' ' 85' ' ' ILE . 3.6 t70 -105.5 140.01 39.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 120.752 -1.218 . . . . 0.0 111.304 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.94 HG22 ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -132.97 151.59 34.53 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.723 173.756 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HG3' ' HB2' ' A' ' 46' ' ' GLN . 4.8 ttpt -153.12 148.69 27.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 123.517 1.627 . . . . 0.0 112.131 173.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.889 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 48.9 m95 -144.78 109.1 4.84 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.059 174.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.598 ' OE2' ' HG2' ' A' ' 41' ' ' LYS . 3.8 tt0 -104.58 156.12 18.24 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.252 0.549 . . . . 0.0 110.791 -173.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.733 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 9.8 ttpt -88.97 83.92 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.365 0.602 . . . . 0.0 109.396 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.6 HG21 ' CA ' ' A' ' 81' ' ' TYR . 18.7 p -48.01 -23.65 0.86 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -169.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -47.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.264 -0.898 . . . . 0.0 111.74 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.19 24.35 12.98 Favored 'General case' 0 C--O 1.249 1.043 0 O-C-N 121.813 -0.555 . . . . 0.0 111.931 174.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.598 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 2.5 ttmt 53.4 60.56 3.64 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.257 -0.902 . . . . 0.0 110.838 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.733 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 10.5 mmmt -128.73 105.58 8.36 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.624 1.202 . . . . 0.0 112.777 -173.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 128.94 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.938 1.351 . . . . 0.0 111.772 -175.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.447 HD11 ' CD1' ' A' ' 60' ' ' TYR . 21.1 pt -116.26 -29.6 2.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.441 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 1.075 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -156.59 127.99 7.06 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 121.42 -0.8 . . . . 0.0 110.516 -173.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.525 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -169.18 151.4 4.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.736 1.731 . . . . 0.0 113.282 -176.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.503 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 3.4 m-85 -121.61 110.57 16.16 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.451 172.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -135.52 108.75 7.76 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.371 -0.831 . . . . 0.0 111.185 -173.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.77 149.55 0.06 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.022 0.915 . . . . 0.0 110.695 -174.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.24 34.76 0.86 Allowed 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.699 173.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -113.09 -9.44 13.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 169.97 116.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.96 -174.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.486 HG22 ' CD2' ' A' ' 47' ' ' PHE . 77.8 p -116.99 172.6 7.15 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.879 0.847 . . . . 0.0 111.211 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.522 ' C ' ' HD1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -122.16 99.52 6.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.649 0.738 . . . . 0.0 110.946 -173.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -159.58 44.93 0.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.782 0.801 . . . . 0.0 111.046 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.53 24.07 2.4 Favored 'General case' 0 C--O 1.253 1.286 0 O-C-N 121.886 -0.509 . . . . 0.0 112.324 -172.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -165.28 132.1 2.87 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 120.916 -1.115 . . . . 0.0 111.221 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -33.11 74.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 70' ' ' ILE . 38.3 m -56.37 -13.93 2.57 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.96 -169.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.63 ' CE1' HG22 ' A' ' 70' ' ' ILE . 27.1 m-85 -148.95 84.42 1.46 Allowed 'General case' 0 C--O 1.253 1.254 0 O-C-N 121.202 -0.936 . . . . 0.0 110.592 172.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.49 154.6 29.03 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 120.774 -1.204 . . . . 0.0 112.231 -172.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 1.075 ' CD1' ' HB3' ' A' ' 45' ' ' ALA . 7.7 mp -93.23 177.65 5.98 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.831 0.824 . . . . 0.0 111.174 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.684 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 2.8 m-85 -138.91 174.59 10.36 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.986 0.898 . . . . 0.0 110.975 172.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -64.12 -39.03 93.17 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.419 -0.8 . . . . 0.0 110.983 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -89.3 19.56 4.31 Favored 'General case' 0 C--O 1.252 1.227 0 O-C-N 121.967 -0.458 . . . . 0.0 111.969 -175.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.565 ' HA3' HG23 ' A' ' 21' ' ' ILE . . . 77.49 18.44 77.77 Favored Glycine 0 C--O 1.251 1.167 0 O-C-N 120.859 -1.15 . . . . 0.0 112.66 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.442 HG21 ' O ' ' A' ' 19' ' ' LEU . 1.2 m -88.61 161.98 16.61 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.017 -1.284 . . . . 0.0 111.11 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.818 HD21 ' CD1' ' A' ' 19' ' ' LEU . 10.3 tt -127.23 148.72 50.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.826 . . . . 0.0 111.093 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.684 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -134.0 136.21 43.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.594 0.712 . . . . 0.0 110.908 -176.636 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.63 HG22 ' CE1' ' A' ' 60' ' ' TYR . 1.3 mt -126.97 117.64 48.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.522 0.677 . . . . 0.0 110.456 -173.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.5 mtpm? -86.97 132.32 33.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.505 1.145 . . . . 0.0 113.465 -172.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 55.24 92.81 0.03 OUTLIER 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.374 171.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.856 ' HB2' ' HB3' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -141.89 124.96 16.26 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 124.526 2.108 . . . . 0.0 115.751 -173.172 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.633 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -112.68 -162.09 0.78 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 120.303 -1.498 . . . . 0.0 111.197 172.288 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.452 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.8 m -46.17 -28.93 1.37 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.228 1.013 . . . . 0.0 112.798 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.58 -39.56 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.377 -176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.856 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 20.0 m-20 -80.13 -11.25 59.77 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.885 -0.509 . . . . 0.0 112.298 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -84.58 111.83 19.88 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.77 -1.206 . . . . 0.0 110.946 -172.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.478 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 3.6 m-20 -138.37 165.51 26.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.668 1.223 . . . . 0.0 111.761 -173.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.732 HG12 ' OD1' ' A' ' 99' ' ' ASP . 6.9 mt -86.81 139.98 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.696 175.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CA ' HG21 ' A' ' 38' ' ' THR . 20.4 m-85 -134.82 162.49 32.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.976 0.894 . . . . 0.0 111.01 -172.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -152.95 130.68 11.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.889 0.852 . . . . 0.0 110.818 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.978 HG13 ' HE1' ' A' ' 98' ' ' PHE . 10.4 p -100.69 121.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.648 1.213 . . . . 0.0 110.971 -173.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 p -119.86 114.44 22.1 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.177 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.94 ' CG2' HG22 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -125.33 117.97 51.26 Favored 'Isoleucine or valine' 0 C--O 1.252 1.199 0 O-C-N 121.932 -0.48 . . . . 0.0 109.847 -172.449 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.414 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -112.59 170.63 8.05 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 120.638 -1.289 . . . . 0.0 111.953 -167.399 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 4.7 p30 -84.83 -170.5 3.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.88 0.848 . . . . 0.0 110.934 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -26.16 62.52 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 121.771 -0.581 . . . . 0.0 112.319 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.98 2.53 55.03 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.963 -1.086 . . . . 0.0 112.895 -172.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.69 17.64 79.7 Favored Glycine 0 C--O 1.248 1.026 0 O-C-N 120.623 -1.298 . . . . 0.0 112.979 -174.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.546 ' O ' HG11 ' A' ' 93' ' ' VAL . 7.3 mmtt -90.5 121.98 32.93 Favored 'General case' 0 C--O 1.245 0.867 0 O-C-N 121.082 -1.246 . . . . 0.0 111.353 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.408 ' CA ' ' HD2' ' A' ' 86' ' ' TYR . 6.2 p-10 -62.25 98.9 0.12 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.241 1.019 . . . . 0.0 110.831 173.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 91' ' ' LYS . 3.0 m -92.94 -17.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.865 0.84 . . . . 0.0 112.627 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.796 HD21 ' O ' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -161.67 144.73 12.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.89 1.329 . . . . 0.0 110.98 173.389 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -138.21 160.16 40.17 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.57 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HD2' ' CG ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -171.03 139.62 1.42 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.905 0.86 . . . . 0.0 110.988 176.512 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -93.6 155.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.404 1.097 . . . . 0.0 111.193 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.978 ' HE1' HG13 ' A' ' 83' ' ' VAL . 28.0 m-85 -143.68 171.6 13.96 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.003 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.732 ' OD1' HG12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -163.82 102.84 0.9 Allowed 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.957 -1.089 . . . . 0.0 111.273 -172.795 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 1.0 HD21 HG22 ' A' ' 9' ' ' THR . 0.1 OUTLIER -72.36 128.83 36.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.269 1.033 . . . . 0.0 110.835 173.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -125.73 171.38 10.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.88 1.324 . . . . 0.0 111.298 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.853 HG23 ' CD1' ' A' ' 13' ' ' LEU . 4.5 mm -127.96 147.61 32.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.06 171.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.319 -0.752 0 CA-C-O 122.683 1.23 . . . . 0.0 112.075 -171.667 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.2 m120 . . . . . 0 CA--C 1.511 -0.524 0 CA-C-O 122.151 0.977 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.72 173.73 7.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.688 1.232 . . . . 0.0 111.171 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.764 HD11 ' CE2' ' A' ' 98' ' ' PHE . 8.0 mt -115.83 99.28 7.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.03 -173.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -54.92 99.9 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.937 0.875 . . . . 0.0 111.073 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.17 160.55 14.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.693 0.759 . . . . 0.0 110.826 -174.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -145.73 154.92 42.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.928 0.87 . . . . 0.0 111.454 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.4 -174.66 30.48 Favored Glycine 0 C--O 1.239 0.464 0 CA-C-O 122.493 1.052 . . . . 0.0 111.5 173.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.32 155.78 39.71 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.812 -0.817 . . . . 0.0 110.09 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.948 HD21 HG23 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -87.67 149.34 24.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 124.801 2.239 . . . . 0.0 113.61 -171.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.5 42.17 Favored Glycine 0 N--CA 1.464 0.528 0 CA-C-N 113.06 -1.882 . . . . 0.0 108.791 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -162.89 147.34 11.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 125.231 2.443 . . . . 0.0 116.999 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -80.1 144.15 33.35 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.585 -173.638 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.438 HG22 HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -159.36 148.18 7.17 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 CA-C-O 121.357 0.599 . . . . 0.0 110.684 173.318 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.48 161.71 13.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.908 1.337 . . . . 0.0 112.2 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.105 HD12 HD22 ' A' ' 68' ' ' LEU . 1.4 mp -104.84 104.39 14.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 123.3 1.524 . . . . 0.0 109.652 172.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.89 109.08 20.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.846 1.308 . . . . 0.0 111.636 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.921 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -70.08 165.56 41.94 Favored Pre-proline 0 C--O 1.24 0.561 0 CA-C-O 122.138 0.97 . . . . 0.0 111.605 177.19 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.921 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 22.6 Cg_exo -44.79 -174.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.343 1 C-N-CA 127.375 5.384 . . . . 0.0 116.072 174.442 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -87.25 29.59 0.84 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.324 -1.307 . . . . 0.0 112.702 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -84.08 140.95 31.48 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 121.601 -0.687 . . . . 0.0 109.964 171.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -129.94 108.32 10.03 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.118 -0.989 . . . . 0.0 112.117 -172.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.686 ' HE2' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -76.12 170.17 16.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.568 0.699 . . . . 0.0 110.705 172.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -156.49 -111.51 0.03 OUTLIER 'General case' 0 C--O 1.246 0.897 0 O-C-N 121.61 -0.681 . . . . 0.0 110.933 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -84.07 -51.87 6.75 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.466 -0.771 . . . . 0.0 112.521 -172.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.486 ' O ' HG21 ' A' ' 88' ' ' THR . 4.8 m-20 -68.64 -18.18 64.25 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 121.176 -0.953 . . . . 0.0 113.411 -172.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.546 HD11 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -87.98 128.64 40.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.384 -0.822 . . . . 0.0 110.881 -176.485 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -31.75 3.27 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -101.82 138.56 38.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.656 1.217 . . . . 0.0 110.848 -172.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.891 HG22 ' CG2' ' A' ' 85' ' ' ILE . 3.3 mt -143.66 147.69 19.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.034 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.502 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -155.88 140.63 17.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 123.545 1.64 . . . . 0.0 112.737 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.978 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 m95 -138.79 126.16 21.68 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.36 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -121.48 168.51 11.63 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.566 0.698 . . . . 0.0 110.707 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -95.4 84.21 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.754 HG21 ' C ' ' A' ' 81' ' ' TYR . 42.0 p -33.51 -45.59 0.17 Allowed 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -170.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -55.92 -59.32 5.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.671 0.748 . . . . 0.0 111.201 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.62 4.42 51.95 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.85 57.91 6.02 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.254 -173.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -119.6 99.75 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 123.011 1.386 . . . . 0.0 112.471 -172.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -43.31 127.79 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.7 1.238 . . . . 0.0 112.013 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.797 HD11 ' CD2' ' A' ' 60' ' ' TYR . 32.8 pt -127.64 -32.07 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.077 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.885 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.677 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . . . -157.52 135.14 10.59 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 121.116 -0.99 . . . . 0.0 110.477 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.436 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -169.33 146.64 3.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 123.84 1.781 . . . . 0.0 113.444 -178.361 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.61 120.14 38.42 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.333 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HB3' ' NE2' ' A' ' 46' ' ' GLN . 6.7 tpt180 -142.21 84.72 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.406 -0.809 . . . . 0.0 110.999 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.412 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 70.58 150.67 0.09 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.228 1.013 . . . . 0.0 110.199 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.04 37.95 0.79 Allowed 'General case' 0 C--O 1.251 1.159 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.448 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -118.78 -5.03 10.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 178.6 121.25 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.004 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.07 152.81 43.84 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.667 0.746 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' HB3' ' HG3' ' A' ' 46' ' ' GLN . 45.6 t80 -105.09 106.62 17.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.072 0.939 . . . . 0.0 111.356 -175.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -164.19 61.04 0.15 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.041 0.924 . . . . 0.0 110.797 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -32.32 73.68 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.8 -172.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.761 ' CG ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -153.64 162.62 41.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.083 0.944 . . . . 0.0 111.362 176.258 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.8 -3.4 38.13 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.515 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.761 HG23 ' CG ' ' A' ' 57' ' ' LYS . 9.4 t -57.94 -21.98 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.119 -0.988 . . . . 0.0 110.593 173.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.872 ' HE2' ' HE2' ' A' ' 81' ' ' TYR . 69.0 m-85 -150.45 83.83 1.36 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 121.561 -0.712 . . . . 0.0 111.039 171.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -104.54 144.46 31.66 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.309 -0.869 . . . . 0.0 111.157 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.801 HD11 ' H ' ' A' ' 63' ' ' PHE . 2.9 tp -100.27 144.07 29.72 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 123.077 0.551 . . . . 0.0 110.805 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.801 ' H ' HD11 ' A' ' 62' ' ' LEU . 2.8 m-30 -115.48 168.59 9.86 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.254 -0.903 . . . . 0.0 111.283 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.82 -34.38 78.23 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.773 0.797 . . . . 0.0 111.171 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -88.14 20.88 2.98 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 121.843 -0.535 . . . . 0.0 112.145 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.95 16.13 78.34 Favored Glycine 0 C--O 1.253 1.331 0 O-C-N 120.968 -1.083 . . . . 0.0 112.539 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.36 153.19 20.62 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 120.757 -1.437 . . . . 0.0 111.005 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 1.105 HD22 HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -132.25 111.42 11.38 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.559 -0.713 . . . . 0.0 111.301 178.082 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -93.26 136.45 33.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.623 1.201 . . . . 0.0 110.877 -174.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.99 HD13 HD13 ' A' ' 19' ' ' LEU . 5.3 mt -120.02 113.76 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.71 0.767 . . . . 0.0 109.686 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.4 OUTLIER -86.52 119.45 26.79 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -169.106 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.545 ' O ' HD22 ' A' ' 73' ' ' LEU . 34.2 t60 49.97 86.79 0.03 OUTLIER 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.382 1.073 . . . . 0.0 112.863 170.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 1.021 ' HB2' ' HB2' ' A' ' 77' ' ' ASP . 35.5 mt -157.78 167.47 29.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 125.339 2.495 . . . . 0.0 113.8 177.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.592 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -114.12 -134.86 0.35 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.271 1.828 . . . . 0.0 113.772 -169.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.0 m -61.27 -25.27 66.98 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.805 1.288 . . . . 0.0 110.64 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -69.12 -31.58 70.37 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 122.82 1.295 . . . . 0.0 110.77 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 1.021 ' HB2' ' HB2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -69.36 -23.47 63.76 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.921 173.075 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.781 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 3.3 tt0 -82.65 89.48 6.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.412 1.101 . . . . 0.0 110.96 -175.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.65 173.32 8.17 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 122.33 1.062 . . . . 0.0 110.887 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.731 HG22 ' OD2' ' A' ' 99' ' ' ASP . 1.2 mp -97.55 133.28 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.884 0.85 . . . . 0.0 110.368 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.872 ' HE2' ' HE2' ' A' ' 60' ' ' TYR . 32.2 m-85 -127.67 165.95 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.682 1.23 . . . . 0.0 111.968 -171.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.514 ' HB2' HG23 ' A' ' 38' ' ' THR . 10.3 ttmt -148.69 135.12 19.52 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.542 172.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.907 HG23 ' CD1' ' A' ' 85' ' ' ILE . 3.6 p -109.75 110.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.969 1.366 . . . . 0.0 110.838 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.518 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -116.28 123.06 46.75 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.216 179.455 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.907 ' CD1' HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -140.26 118.23 10.35 Favored 'Isoleucine or valine' 0 C--O 1.256 1.404 0 O-C-N 121.8 -0.562 . . . . 0.0 110.179 -172.061 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -126.24 166.32 17.32 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 120.284 -1.51 . . . . 0.0 110.521 -167.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.463 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -81.14 -171.38 3.21 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 -174.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.486 HG21 ' O ' ' A' ' 29' ' ' ASP . 6.5 p -54.66 -40.6 69.22 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 121.452 -0.78 . . . . 0.0 111.687 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -91.43 29.06 1.54 Allowed 'General case' 0 C--O 1.248 1.022 0 O-C-N 121.546 -0.721 . . . . 0.0 112.274 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.72 23.01 62.61 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 121.139 -0.976 . . . . 0.0 111.972 173.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -90.63 103.68 16.35 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.367 -1.078 . . . . 0.0 111.514 -177.613 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.25 99.8 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.005 0.907 . . . . 0.0 110.99 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.416 HG11 ' OD2' ' A' ' 87' ' ' ASP . 35.4 m -86.5 -28.76 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.608 1.194 . . . . 0.0 111.851 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.671 HD21 HD11 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -155.79 142.99 19.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.849 1.309 . . . . 0.0 111.636 175.482 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -146.32 134.26 21.37 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.833 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.763 ' CD ' ' HG2' ' A' ' 22' ' ' PRO . 21.6 mttt -148.76 165.78 30.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.499 0.666 . . . . 0.0 110.721 -174.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -120.79 157.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -173.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.764 ' CE2' HD11 ' A' ' 7' ' ' LEU . 7.5 m-85 -146.07 167.53 23.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.848 0.833 . . . . 0.0 111.397 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.731 ' OD2' HG22 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -159.33 95.76 1.26 Allowed 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.349 0.595 . . . . 0.0 111.024 175.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.738 ' CD1' HD11 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -67.22 151.06 48.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.92 0.867 . . . . 0.0 111.465 176.852 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.781 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 74.8 mttt -145.6 167.93 21.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.679 1.228 . . . . 0.0 111.94 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.948 HG23 HD21 ' A' ' 13' ' ' LEU . 8.7 mm -123.79 138.28 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 122.564 1.173 . . . . 0.0 109.508 171.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 122.81 1.291 . . . . 0.0 112.384 -171.71 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.711 ' O ' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.837 0.827 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.28 173.28 12.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.886 1.327 . . . . 0.0 111.632 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 1.056 HD11 ' CE2' ' A' ' 98' ' ' PHE . 28.2 mt -120.11 118.13 29.76 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 122.292 1.044 . . . . 0.0 110.873 -177.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.11 92.46 0.18 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.877 0.846 . . . . 0.0 110.903 173.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.619 ' HB ' HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -111.8 128.87 56.24 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 121.265 0.555 . . . . 0.0 110.36 -174.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.512 ' CZ2' ' HD2' ' A' ' 101' ' ' LYS . 85.8 m95 -129.93 164.64 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.442 1.115 . . . . 0.0 112.549 -171.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.51 166.52 35.4 Favored Glycine 0 C--O 1.239 0.461 0 CA-C-O 122.189 0.883 . . . . 0.0 111.717 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.822 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . . . -104.58 161.66 13.93 Favored 'General case' 0 C--O 1.253 1.264 0 O-C-N 121.722 -0.87 . . . . 0.0 110.48 172.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.82 ' CD1' HG23 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -74.31 126.34 30.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.935 1.35 . . . . 0.0 111.849 -172.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 36.34 28.89 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.822 ' NE2' ' HB2' ' A' ' 12' ' ' ALA . 6.3 tt0 -138.02 131.02 30.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 123.046 1.403 . . . . 0.0 112.584 -170.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -84.02 129.04 34.93 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.103 -173.699 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.554 ' CG2' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -133.39 158.02 42.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.774 0.797 . . . . 0.0 110.736 -178.24 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -115.27 137.37 52.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.083 0.944 . . . . 0.0 112.085 -173.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.083 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 1.9 mm? -81.61 111.46 17.92 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.817 171.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -100.18 111.03 23.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.894 1.33 . . . . 0.0 112.367 -170.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.834 ' CD1' HG13 ' A' ' 85' ' ' ILE . 8.9 tt -70.21 155.57 93.23 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.403 171.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.803 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 28.6 Cg_exo -45.5 -177.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.437 1 C-N-CA 126.875 5.05 . . . . 0.0 115.643 176.39 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.2 p -88.94 30.66 0.91 Allowed 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.257 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -105.87 124.73 50.05 Favored 'General case' 0 C--O 1.247 0.956 0 O-C-N 121.617 -0.677 . . . . 0.0 109.946 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.25 148.19 44.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.603 1.192 . . . . 0.0 111.358 -171.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.667 ' HB3' HG23 ' A' ' 30' ' ' ILE . 5.2 ptm -84.4 171.76 12.34 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 122.017 0.913 . . . . 0.0 111.057 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.9 p -157.7 -118.05 0.02 OUTLIER 'General case' 0 C--O 1.251 1.173 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.182 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.54 -14.58 51.92 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.984 -1.073 . . . . 0.0 112.366 -173.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.549 ' O ' HG21 ' A' ' 88' ' ' THR . 54.5 m-20 -101.04 -24.6 14.28 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.763 -1.211 . . . . 0.0 113.256 -173.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.667 HG23 ' HB3' ' A' ' 26' ' ' MET . 1.3 mt -86.79 145.48 7.58 Favored 'Isoleucine or valine' 0 C--O 1.247 0.965 0 O-C-N 121.76 -0.587 . . . . 0.0 110.755 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.37 -38.68 1.18 Allowed 'General case' 0 C--O 1.258 1.504 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 85' ' ' ILE . 4.6 t70 -105.98 145.99 30.64 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 120.567 -1.333 . . . . 0.0 112.094 -171.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.927 ' HA ' HG22 ' A' ' 85' ' ' ILE . 17.2 mt -143.5 102.03 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.441 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 8.3 mmmt -114.32 149.29 36.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.233 1.492 . . . . 0.0 112.229 -173.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 1.083 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 37.6 m95 -141.72 129.91 22.19 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.288 172.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.82 168.56 11.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.807 0.813 . . . . 0.0 111.656 -173.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 40' ' ' ASP . 6.3 ttpt -97.08 108.49 21.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.395 173.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 1.094 ' CG2' HG21 ' A' ' 80' ' ' ILE . 5.0 p -46.9 -49.96 19.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.802 0.81 . . . . 0.0 112.186 -171.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 t -52.58 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.827 . . . . 0.0 111.59 -173.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -77.92 3.36 14.75 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.686 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HB2' ' HE2' ' A' ' 41' ' ' LYS . 4.4 mtpt 56.32 67.13 1.04 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.012 1.387 . . . . 0.0 110.24 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.65 104.55 6.41 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.615 -1.175 . . . . 0.0 113.486 -172.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -41.11 150.53 0.08 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.174 0.988 . . . . 0.0 112.295 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.485 HD11 ' CD2' ' A' ' 60' ' ' TYR . 4.8 pt -147.88 -48.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.886 0.851 . . . . 0.0 111.036 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.916 ' HB3' ' HG ' ' A' ' 62' ' ' LEU . . . -129.55 125.19 35.69 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -154.72 142.77 20.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.74 1.733 . . . . 0.0 113.158 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.587 ' HD1' HD11 ' A' ' 62' ' ' LEU . 2.0 m-85 -125.89 123.5 38.77 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.396 172.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.804 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -141.77 116.29 9.62 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 121.318 -0.864 . . . . 0.0 111.527 -173.076 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.26 159.87 0.18 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.901 . . . . 0.0 109.58 -176.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 8.6 pt-20 -71.53 7.57 1.38 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.802 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 1.4 mmtp -159.99 122.1 3.31 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.279 1.032 . . . . 0.0 109.684 168.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.804 ' HB3' ' O ' ' A' ' 48' ' ' ARG . 1.0 OUTLIER 143.66 76.27 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.963 1.305 . . . . 0.0 109.772 -169.609 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -103.77 139.15 39.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.839 1.304 . . . . 0.0 113.174 -171.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -128.82 85.67 2.35 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.909 171.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 15.73 0.47 Allowed 'General case' 0 C--O 1.261 1.703 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -170.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.2 72.48 7.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 120.535 1.516 . . . . 0.0 111.291 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.693 ' CG ' HG23 ' A' ' 59' ' ' THR . 0.6 OUTLIER 179.68 108.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.719 -0.613 . . . . 0.0 110.892 -174.41 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.14 0.972 . . . . 0.0 112.096 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.739 HG21 ' HD1' ' A' ' 60' ' ' TYR . 14.6 t -60.51 -15.25 25.34 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.626 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.866 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 68.2 m-85 -150.57 90.86 1.68 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.225 -0.922 . . . . 0.0 111.221 171.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -101.1 161.18 13.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.665 1.221 . . . . 0.0 111.629 -174.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.916 ' HG ' ' HB3' ' A' ' 45' ' ' ALA . 12.3 mt -107.57 151.68 25.28 Favored 'General case' 0 C--O 1.252 1.209 0 C-N-CA 123.779 0.832 . . . . 0.0 110.6 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.801 ' CD2' HG23 ' A' ' 67' ' ' THR . 22.6 m-30 -130.84 170.81 13.91 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.914 -1.116 . . . . 0.0 111.451 174.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HE3' ' HE1' ' A' ' 26' ' ' MET . 0.6 OUTLIER -66.22 -54.52 24.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.034 0.921 . . . . 0.0 111.18 -175.194 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -53.27 -21.57 5.67 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.928 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.19 24.76 10.04 Favored Glycine 0 C--O 1.245 0.806 0 O-C-N 121.099 -1.0 . . . . 0.0 111.851 -173.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.801 HG23 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.3 148.52 22.82 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.39 -1.064 . . . . 0.0 110.956 173.488 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 1.015 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 6.7 tp -105.84 154.86 19.94 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.301 0.572 . . . . 0.0 110.609 173.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -133.85 124.51 26.62 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.522 -0.736 . . . . 0.0 110.968 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.776 HD13 HD22 ' A' ' 19' ' ' LEU . 4.4 mt -117.97 110.56 31.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.154 0.978 . . . . 0.0 110.483 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.9 tttm -81.04 141.18 34.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 123.058 1.408 . . . . 0.0 113.426 -172.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 49.57 79.17 0.08 Allowed 'General case' 0 C--O 1.25 1.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.444 172.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -122.2 119.07 30.17 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.098 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.568 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -107.21 -162.79 0.86 Allowed 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.882 1.273 . . . . 0.0 110.518 169.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.441 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.6 m -49.76 -27.21 4.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.204 1.002 . . . . 0.0 112.477 176.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -38.38 49.97 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.389 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.835 ' HB3' HD11 ' A' ' 73' ' ' LEU . 1.5 m-20 -77.61 -12.47 59.97 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.378 -0.826 . . . . 0.0 112.01 174.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.525 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -74.52 102.97 4.68 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.772 -1.205 . . . . 0.0 110.91 -176.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.2 176.06 8.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.335 1.064 . . . . 0.0 111.098 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 1.094 HG21 ' CG2' ' A' ' 38' ' ' THR . 31.9 mt -101.26 142.59 15.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.54 0.686 . . . . 0.0 110.137 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.974 ' HE2' ' HB2' ' A' ' 100' ' ' LEU . 33.5 m-85 -137.26 170.96 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.954 0.883 . . . . 0.0 111.426 -171.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.845 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 24.7 ttpt -156.37 155.36 32.05 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 173.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 1.097 HG13 ' HE1' ' A' ' 98' ' ' PHE . 12.0 p -129.31 128.85 66.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.587 1.184 . . . . 0.0 111.227 -174.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.609 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 35.0 p -133.56 103.66 6.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.899 0.857 . . . . 0.0 110.296 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.927 HG22 ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -112.69 113.97 45.66 Favored 'Isoleucine or valine' 0 C--O 1.25 1.129 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.207 -172.521 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.803 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -109.62 167.48 10.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.103 1.43 . . . . 0.0 112.505 -169.325 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.636 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 14.9 p-10 -86.02 -165.23 1.19 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.463 1.125 . . . . 0.0 110.933 177.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.549 HG21 ' O ' ' A' ' 29' ' ' ASP . 60.0 p -62.59 -33.11 74.32 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.502 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -90.83 23.01 3.3 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 121.474 -0.766 . . . . 0.0 112.22 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.65 54.24 Favored Glycine 0 C--O 1.249 1.065 0 O-C-N 121.056 -1.027 . . . . 0.0 111.76 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.636 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 3.4 mtpp -86.06 113.59 22.25 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.161 -1.199 . . . . 0.0 110.987 -177.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.803 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -61.1 91.62 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.712 1.244 . . . . 0.0 110.771 175.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.572 HG22 HD13 ' A' ' 30' ' ' ILE . 17.3 m -69.6 -33.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 122.849 1.309 . . . . 0.0 110.835 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.586 HD23 ' HG2' ' A' ' 22' ' ' PRO . 12.3 tp -149.44 145.6 27.01 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 123.13 1.443 . . . . 0.0 111.446 173.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -138.01 155.73 48.54 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.542 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.845 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 tptt -167.47 154.27 8.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.414 1.102 . . . . 0.0 111.391 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.711 HD11 ' O ' ' A' ' 5' ' ' ASN . 1.5 mt -112.91 141.3 28.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.803 -174.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.097 ' HE1' HG13 ' A' ' 83' ' ' VAL . 11.2 m-85 -128.66 163.02 25.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.025 0.917 . . . . 0.0 111.414 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.14 108.02 3.36 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.741 0.781 . . . . 0.0 110.88 173.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.974 ' HB2' ' HE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -72.53 149.09 44.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.871 0.843 . . . . 0.0 110.857 178.602 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.525 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 2.5 mttp -139.85 163.54 32.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.762 1.268 . . . . 0.0 112.053 -173.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.82 HG23 ' CD1' ' A' ' 13' ' ' LEU . 27.6 mm -124.22 145.72 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.307 169.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.783 0 CA-C-O 122.203 1.002 . . . . 0.0 111.347 -171.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt . . . . . 0 C--O 1.239 0.536 0 CA-C-O 121.95 0.881 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -100.6 103.67 14.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.881 0.848 . . . . 0.0 110.99 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.79 178.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 123.043 1.401 . . . . 0.0 111.604 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -82.46 176.11 9.68 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 122.784 1.278 . . . . 0.0 111.239 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -133.66 42.81 2.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.844 1.307 . . . . 0.0 110.34 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.58 174.37 7.31 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 123.067 1.413 . . . . 0.0 112.164 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.912 HD11 ' CE2' ' A' ' 98' ' ' PHE . 13.2 mt -107.06 111.9 24.57 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.42 1.105 . . . . 0.0 110.983 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.78 91.61 0.01 OUTLIER 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.925 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.849 HG23 ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -99.01 137.36 37.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.769 0.795 . . . . 0.0 110.55 -173.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -127.64 161.77 28.08 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.063 0.935 . . . . 0.0 111.544 -172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.17 -159.57 9.48 Favored Glycine 0 C--O 1.239 0.441 0 CA-C-O 122.482 1.046 . . . . 0.0 111.548 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.673 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -157.58 150.66 23.37 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 121.844 -0.798 . . . . 0.0 110.316 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.961 ' CD1' HG23 ' A' ' 102' ' ' ILE . 6.4 mp -65.3 133.76 52.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.764 1.268 . . . . 0.0 111.158 -172.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.89 43.67 10.95 Favored Glycine 0 C--O 1.251 1.197 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.094 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.673 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -132.57 -179.18 5.3 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 123.437 1.589 . . . . 0.0 110.955 -173.402 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.925 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -136.54 128.64 29.64 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.335 1.064 . . . . 0.0 110.106 172.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.854 HG23 HD12 ' A' ' 100' ' ' LEU . 7.7 tp -126.62 168.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.986 0.898 . . . . 0.0 112.105 -170.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.49 ' O ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -128.55 -177.69 4.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.159 1.457 . . . . 0.0 111.613 -175.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.839 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.9 OUTLIER -140.32 89.67 2.3 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.324 -176.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.91 105.77 17.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 110.454 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 1.089 HG22 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -98.75 -48.12 0.22 Allowed Pre-proline 0 C--O 1.245 0.858 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -171.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 1.089 ' HD3' HG22 ' A' ' 21' ' ' ILE . 86.2 Cg_exo -52.7 113.42 1.23 Allowed 'Trans proline' 0 N--CA 1.529 3.58 1 C-N-CA 126.123 4.549 . . . . 0.0 117.48 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -94.67 16.25 16.13 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.43 1.092 . . . . 0.0 110.945 170.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -167.08 178.29 5.78 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.032 0.92 . . . . 0.0 111.445 -168.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.47 76.69 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.797 1.284 . . . . 0.0 111.868 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.459 ' HE2' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -76.93 161.32 28.48 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.407 172.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 p -167.01 -50.69 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.856 1.312 . . . . 0.0 113.303 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -75.6 -27.27 58.45 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 114.836 -1.075 . . . . 0.0 113.205 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.9 7.55 9.32 Favored 'General case' 0 C--O 1.258 1.536 0 O-C-N 121.036 -1.04 . . . . 0.0 113.18 -171.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.702 HD11 HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -88.67 158.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 120.613 -1.304 . . . . 0.0 111.336 -174.196 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.591 ' N ' HD12 ' A' ' 30' ' ' ILE . 15.5 t70 -133.26 -63.38 0.76 Allowed 'General case' 0 C--O 1.254 1.338 0 O-C-N 121.546 -0.721 . . . . 0.0 112.917 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.844 ' C ' HD11 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -105.02 142.22 35.19 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.466 1.603 . . . . 0.0 113.279 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.867 ' HA ' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -126.2 124.54 66.03 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.273 172.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.776 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 26.4 tttp -130.58 147.11 52.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.195 1.474 . . . . 0.0 112.558 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.839 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 57.1 m95 -142.95 127.19 17.59 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.348 172.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.77 162.49 17.22 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-O 121.166 0.508 . . . . 0.0 110.811 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 2.6 ttmt -96.34 89.02 4.93 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.554 -0.716 . . . . 0.0 109.759 173.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.712 ' HG1' HG21 ' A' ' 80' ' ' ILE . 44.1 p -49.77 -28.19 5.91 Favored 'General case' 0 C--O 1.251 1.168 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -169.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -55.83 -47.05 77.9 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.112 -0.992 . . . . 0.0 111.286 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -134.67 30.84 3.42 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.563 -0.711 . . . . 0.0 112.049 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 7.0 pttp 48.17 57.64 5.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.611 1.196 . . . . 0.0 110.481 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.73 108.39 14.36 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 122.633 1.206 . . . . 0.0 112.114 -172.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -44.07 130.4 6.03 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 122.102 0.953 . . . . 0.0 112.005 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.813 HD11 ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -120.93 -36.03 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.266 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.0 153.48 33.01 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.574 -0.704 . . . . 0.0 110.639 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.776 ' HG3' ' HG3' ' A' ' 34' ' ' LYS . 1.3 tt0 -164.33 158.61 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 123.872 1.796 . . . . 0.0 113.454 173.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.552 ' HD2' HD12 ' A' ' 62' ' ' LEU . 3.0 m-85 -133.39 129.53 37.5 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.423 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.62 56.77 1.7 Allowed 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.429 -0.794 . . . . 0.0 110.91 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' HD2' ' HB2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER 69.03 173.7 0.29 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.082 1.42 . . . . 0.0 109.198 -173.423 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.69 36.87 0.45 Allowed 'General case' 0 C--O 1.25 1.11 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 1.4 ttpp -120.77 -8.53 9.44 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 171.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -177.92 85.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.149 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 t -126.71 149.79 49.39 Favored 'General case' 0 C--O 1.265 1.89 0 C-N-CA 123.455 0.702 . . . . 0.0 109.604 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.631 ' HE1' ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -152.4 156.83 40.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 124.546 2.117 . . . . 0.0 114.625 -171.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -161.22 100.6 1.22 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.326 173.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.07 -48.08 22.63 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.792 ' HB2' HG23 ' A' ' 59' ' ' THR . 7.7 mtpt -151.6 176.75 11.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.171 0.986 . . . . 0.0 110.782 -173.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -29.64 70.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.806 0.812 . . . . 0.0 112.193 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.792 HG23 ' HB2' ' A' ' 57' ' ' LYS . 9.0 t -50.79 -21.73 1.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.073 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.813 ' CE2' HD11 ' A' ' 44' ' ' ILE . 35.8 m-85 -147.98 99.31 3.06 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 111.41 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.822 ' O ' HD11 ' A' ' 68' ' ' LEU . 1.1 mtmm -98.86 151.2 21.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.897 0.856 . . . . 0.0 111.734 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.642 HD23 HG21 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.51 120.31 38.34 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 123.783 0.833 . . . . 0.0 109.518 172.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 1.114 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 99.1 m-85 -105.49 179.15 4.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 123.385 1.564 . . . . 0.0 113.06 -171.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -72.84 -54.31 9.12 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.168 -175.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -61.99 -9.01 6.04 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.584 -0.698 . . . . 0.0 111.22 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.55 8.69 54.36 Favored Glycine 0 C--O 1.25 1.15 0 O-C-N 120.924 -1.11 . . . . 0.0 112.653 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.547 ' O ' ' HD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.05 153.82 34.03 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 119.326 1.563 . . . . 0.0 110.719 177.408 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.822 HD11 ' O ' ' A' ' 61' ' ' LYS . 9.1 tp -114.57 118.49 33.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.264 1.031 . . . . 0.0 111.232 174.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 1.114 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -90.08 162.93 15.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.969 0.89 . . . . 0.0 111.134 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.763 HD13 HD22 ' A' ' 19' ' ' LEU . 2.4 mt -149.3 123.72 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.248 0.998 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.742 173.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 149.63 21.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.57 -0.706 . . . . 0.0 111.389 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.855 ' C ' HD21 ' A' ' 73' ' ' LEU . 22.2 t60 61.79 110.57 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.425 1.583 . . . . 0.0 110.989 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 1.045 HD11 HD23 ' A' ' 100' ' ' LEU . 3.0 mm? -135.48 70.16 1.43 Allowed 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -170.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.6 -171.03 2.38 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.876 0.846 . . . . 0.0 110.454 171.101 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.637 ' HG1' HD13 ' A' ' 13' ' ' LEU . 18.1 m -52.76 -28.28 21.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.411 1.101 . . . . 0.0 112.28 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -42.33 47.71 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.219 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.0 10.4 14.27 Favored 'General case' 0 C--O 1.254 1.308 0 O-C-N 121.619 -0.675 . . . . 0.0 112.094 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.7 116.57 28.91 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.794 -1.191 . . . . 0.0 111.072 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -143.04 -172.13 3.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.285 1.04 . . . . 0.0 111.529 -173.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.712 HG21 ' HG1' ' A' ' 38' ' ' THR . 1.9 mp -110.51 143.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.606 1.193 . . . . 0.0 110.115 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.697 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -138.29 167.82 21.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.776 0.798 . . . . 0.0 110.724 -171.027 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.837 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 37.6 tttt -157.45 151.59 24.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.63 0.729 . . . . 0.0 110.605 173.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 1.077 HG13 ' CE1' ' A' ' 98' ' ' PHE . 11.4 p -124.69 129.35 73.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 122.482 1.134 . . . . 0.0 111.108 -178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.709 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 58.7 p -127.62 106.35 9.1 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.931 173.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.867 HG22 ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.99 106.64 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 122.207 1.003 . . . . 0.0 110.03 -171.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.709 ' HE1' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -98.8 158.57 15.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.468 1.127 . . . . 0.0 112.62 -167.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.955 ' HB3' HG12 ' A' ' 93' ' ' VAL . 38.6 p-10 -87.97 -164.8 1.16 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 122.144 0.973 . . . . 0.0 110.895 174.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 31' ' ' ASP . 28.5 p -73.93 -32.61 63.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.878 0.847 . . . . 0.0 111.056 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.09 -11.46 39.97 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.666 -0.646 . . . . 0.0 112.036 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.54 14.77 79.46 Favored Glycine 0 C--O 1.25 1.147 0 O-C-N 120.794 -1.191 . . . . 0.0 112.354 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -84.8 155.58 21.74 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.893 -1.357 . . . . 0.0 111.487 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -83.89 76.22 10.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.84 0.828 . . . . 0.0 110.345 172.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.955 HG12 ' HB3' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -60.08 -19.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.886 0.851 . . . . 0.0 112.373 -173.123 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD23 HD12 ' A' ' 21' ' ' ILE . 9.1 tp -163.73 141.28 7.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.636 1.208 . . . . 0.0 110.72 172.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.82 145.55 31.68 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.515 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.837 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -161.81 155.93 22.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.183 0.992 . . . . 0.0 111.264 -174.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.3 mt -119.35 136.34 56.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.177 0.989 . . . . 0.0 110.717 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.077 ' CE1' HG13 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -126.59 167.05 16.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.835 0.826 . . . . 0.0 111.308 -173.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.39 103.1 1.77 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.049 0.928 . . . . 0.0 110.832 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 1.045 HD23 HD11 ' A' ' 73' ' ' LEU . 15.9 tp -73.51 135.78 44.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.183 0.992 . . . . 0.0 111.219 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -126.43 169.04 13.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.13 0.967 . . . . 0.0 111.434 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.961 HG23 ' CD1' ' A' ' 13' ' ' LEU . 6.4 mm -122.83 143.84 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.174 0.988 . . . . 0.0 110.142 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.833 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -118.44 169.34 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.571 1.177 . . . . 0.0 111.872 -171.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.833 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -142.77 79.52 1.66 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 123.629 1.68 . . . . 0.0 110.58 -173.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.269 2.102 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 mttp . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.926 0.87 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -86.16 135.12 33.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.92 0.867 . . . . 0.0 111.053 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.15 108.19 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.967 0.889 . . . . 0.0 111.013 174.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.0 p -99.06 173.49 6.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.253 1.025 . . . . 0.0 111.041 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.96 46.75 1.85 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.427 1.108 . . . . 0.0 110.835 177.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.5 169.59 11.72 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.029 0.918 . . . . 0.0 111.365 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.967 HD22 ' CD2' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -115.44 108.77 16.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.332 1.063 . . . . 0.0 110.714 -177.148 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 101.51 4.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.031 0.92 . . . . 0.0 110.953 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.894 HG23 ' HA ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -105.51 125.7 51.29 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.944 -175.599 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -122.37 147.74 45.92 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.348 -0.845 . . . . 0.0 111.753 -172.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.7 170.2 36.57 Favored Glycine 0 C--O 1.239 0.466 0 O-C-N 121.202 -0.936 . . . . 0.0 111.941 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.66 156.02 17.91 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 121.679 -0.895 . . . . 0.0 110.087 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.71 ' H ' HD22 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.98 163.31 28.06 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.06 1.41 . . . . 0.0 110.31 -171.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 37.31 28.77 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.115 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 6.6 tt0 -124.14 -174.39 2.99 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 124.208 1.956 . . . . 0.0 112.601 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.484 ' H ' ' HG2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -146.18 118.23 8.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.111 170.321 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 tp -123.48 165.65 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.781 1.277 . . . . 0.0 112.718 -169.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -122.05 124.37 43.79 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 122.174 0.988 . . . . 0.0 111.714 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.085 HD13 ' CD2' ' A' ' 81' ' ' TYR . 2.9 mt -80.31 102.58 9.62 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.678 0.751 . . . . 0.0 110.339 171.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.39 -155.58 0.39 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.646 0.736 . . . . 0.0 110.969 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 1.004 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 7.0 tp -165.57 154.63 10.81 Favored Pre-proline 0 C--O 1.245 0.83 0 CA-C-O 121.411 0.624 . . . . 0.0 110.954 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 1.004 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 8.4 Cg_endo -45.82 179.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.487 1 C-N-CA 127.002 5.135 . . . . 0.0 114.417 173.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 p -88.57 30.85 0.87 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.431 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.38 150.88 22.15 Favored 'General case' 0 C--O 1.246 0.906 0 O-C-N 121.572 -0.705 . . . . 0.0 110.455 172.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -147.96 146.85 29.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.123 0.963 . . . . 0.0 111.342 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.9 ptm -53.12 161.01 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.946 0.879 . . . . 0.0 110.938 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -169.96 -92.48 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.398 1.094 . . . . 0.0 111.157 -173.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -76.36 0.08 Allowed 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.912 -172.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.6 ' O ' HG21 ' A' ' 88' ' ' THR . 67.4 m-20 -138.0 21.89 2.83 Favored 'General case' 0 C--O 1.253 1.272 0 O-C-N 121.053 -1.029 . . . . 0.0 112.764 -172.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -69.28 127.53 31.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 121.052 -1.03 . . . . 0.0 110.459 173.32 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.711 ' CG ' HG23 ' A' ' 88' ' ' THR . 0.1 OUTLIER -134.03 -28.22 1.37 Allowed 'General case' 0 C--O 1.26 1.643 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.45 149.43 32.6 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.549 -1.344 . . . . 0.0 112.002 -171.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 85' ' ' ILE . 1.4 mt -133.2 156.97 42.59 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 172.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -150.49 136.01 18.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 123.274 1.512 . . . . 0.0 111.96 173.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.794 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.8 m95 -134.74 130.7 36.62 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.657 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 173.7 11.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.824 0.821 . . . . 0.0 111.105 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -90.76 106.81 18.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 1.098 HG22 HG21 ' A' ' 80' ' ' ILE . 2.2 p -39.04 -53.98 1.74 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -169.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -69.44 -52.22 28.82 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.521 -0.737 . . . . 0.0 112.86 -171.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.778 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 1.3 t0 -99.63 15.8 25.52 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 121.234 -0.916 . . . . 0.0 113.378 -171.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.778 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 8.2 pttt 49.57 58.52 5.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 123.073 1.416 . . . . 0.0 110.196 173.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.67 89.33 3.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.963 1.363 . . . . 0.0 111.86 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -50.02 113.45 0.86 Allowed 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.942 0.877 . . . . 0.0 110.957 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -118.49 -9.39 11.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.867 175.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.947 ' HB3' HD22 ' A' ' 62' ' ' LEU . . . -157.14 131.78 8.68 Favored 'General case' 0 C--O 1.254 1.292 0 O-C-N 120.847 -1.158 . . . . 0.0 110.472 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -159.86 146.45 16.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 123.324 1.535 . . . . 0.0 112.962 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.732 ' CE1' HG23 ' A' ' 53' ' ' THR . 1.6 m-85 -122.09 140.57 52.36 Favored 'General case' 0 C--O 1.244 0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.59 172.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -161.92 113.63 1.7 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.454 -0.778 . . . . 0.0 111.248 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm 66.8 154.44 0.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.738 1.256 . . . . 0.0 110.452 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.54 33.4 0.7 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.073 174.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -7.31 15.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 175.13 160.47 0.22 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.29 -178.343 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.732 HG23 ' CE1' ' A' ' 47' ' ' PHE . 60.9 p -127.56 154.63 44.95 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.721 0.772 . . . . 0.0 111.144 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -112.48 104.72 12.84 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.788 0.804 . . . . 0.0 111.28 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.63 118.16 2.45 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.939 0.876 . . . . 0.0 111.008 174.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -69.45 -53.38 19.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.923 0.868 . . . . 0.0 110.785 177.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.669 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -148.65 169.63 19.94 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.446 0.641 . . . . 0.0 110.643 -175.13 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.05 -18.59 63.3 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.503 -0.748 . . . . 0.0 112.679 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.693 ' O ' HG22 ' A' ' 70' ' ' ILE . 9.3 t -51.71 -23.86 5.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.846 0.831 . . . . 0.0 110.766 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.546 ' CD1' HG12 ' A' ' 70' ' ' ILE . 31.2 m-85 -148.41 83.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.707 0.765 . . . . 0.0 110.812 172.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.605 ' HE2' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -113.86 152.1 31.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.283 1.516 . . . . 0.0 112.028 -172.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.947 HD22 ' HB3' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -98.9 150.42 21.93 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.812 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.605 ' HE1' ' HE2' ' A' ' 61' ' ' LYS . 17.7 m-30 -120.08 158.15 27.46 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 110.5 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -26.59 68.31 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 121.824 -0.547 . . . . 0.0 111.518 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -93.6 25.82 3.33 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.26 -0.9 . . . . 0.0 111.951 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.79 4.2 65.75 Favored Glycine 0 C--O 1.254 1.37 0 O-C-N 121.168 -0.957 . . . . 0.0 112.851 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -90.85 134.57 34.35 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.252 1.526 . . . . 0.0 111.699 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -100.98 150.38 22.95 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.554 171.218 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.871 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -131.24 142.7 50.2 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.063 -1.023 . . . . 0.0 110.968 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 59' ' ' THR . 2.8 mt -125.85 117.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.801 0.81 . . . . 0.0 110.658 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -87.7 149.84 23.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.827 -0.546 . . . . 0.0 110.662 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 62.07 117.62 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.802 1.286 . . . . 0.0 110.491 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.838 HD23 HD23 ' A' ' 100' ' ' LEU . 3.3 tm? -143.43 81.34 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.179 -0.951 . . . . 0.0 112.16 -168.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.42 -170.56 1.75 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.755 1.264 . . . . 0.0 110.261 170.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.428 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.8 m -47.87 -28.58 2.7 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.731 171.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.17 -47.63 14.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.789 0.804 . . . . 0.0 111.265 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.84 2.66 22.31 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.8 -0.562 . . . . 0.0 112.115 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.717 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -82.78 113.48 20.45 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.749 -1.219 . . . . 0.0 111.405 175.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 9.3 m-20 -139.28 167.51 21.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.893 0.854 . . . . 0.0 111.195 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 1.098 HG21 HG22 ' A' ' 38' ' ' THR . 8.1 mt -86.04 148.65 4.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.533 0.682 . . . . 0.0 110.668 173.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 1.085 ' CD2' HD13 ' A' ' 19' ' ' LEU . 46.9 m-85 -141.87 155.95 45.52 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 112.066 -172.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -144.46 128.54 17.59 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.714 177.386 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 1.033 HG23 ' CD1' ' A' ' 85' ' ' ILE . 4.2 p -108.91 116.34 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.887 1.327 . . . . 0.0 111.717 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -116.03 123.15 47.26 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 123.814 0.846 . . . . 0.0 109.911 172.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -130.72 117.85 40.08 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -173.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -114.47 -178.97 3.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 123.3 1.524 . . . . 0.0 113.541 -166.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.716 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 1.5 p30 -98.95 -176.99 3.49 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 122.473 1.13 . . . . 0.0 111.091 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.711 HG23 ' CG ' ' A' ' 31' ' ' ASP . 26.3 p -64.34 -32.58 74.24 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.416 -173.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -95.15 39.5 1.11 Allowed 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.062 -1.024 . . . . 0.0 112.713 -171.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.24 32.17 57.03 Favored Glycine 0 C--O 1.24 0.491 0 O-C-N 121.278 -0.889 . . . . 0.0 111.544 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.716 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 4.0 mmtt -87.47 -170.21 2.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.448 1.594 . . . . 0.0 111.454 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 108.74 5.28 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.458 170.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.404 HG11 ' OD2' ' A' ' 87' ' ' ASP . 34.4 m -98.54 -35.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.452 1.12 . . . . 0.0 112.333 -172.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.965 HD22 HD11 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -146.08 147.74 31.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.177 -174.029 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.8 pt-20 -157.67 145.0 18.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.788 0.804 . . . . 0.0 110.886 -174.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.6 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -154.69 167.03 31.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.09 0.948 . . . . 0.0 111.289 -173.808 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.698 ' C ' ' HD1' ' A' ' 98' ' ' PHE . 3.2 mt -124.99 141.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 122.397 1.094 . . . . 0.0 111.061 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.967 ' CD2' HD22 ' A' ' 7' ' ' LEU . 2.8 m-85 -137.61 176.85 8.34 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.514 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.524 ' OD1' HG12 ' A' ' 80' ' ' ILE . 3.3 t0 -167.32 111.28 0.7 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.144 -0.973 . . . . 0.0 111.407 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.923 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -85.5 120.43 26.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.286 1.041 . . . . 0.0 110.994 176.6 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.717 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 51.0 mttt -121.62 166.58 14.02 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 123.501 1.619 . . . . 0.0 112.574 -173.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.685 HG23 HD21 ' A' ' 13' ' ' LEU . 1.2 mm -134.81 147.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.463 169.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -111.74 147.52 35.46 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.547 1.165 . . . . 0.0 111.852 -171.064 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -163.03 86.46 0.54 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.562 1.172 . . . . 0.0 110.759 -176.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.194 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.964 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . 0.422 ' O7 ' ' C3 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.931 0.872 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -171.76 80.79 0.07 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.955 0.883 . . . . 0.0 111.179 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mm -78.83 139.47 18.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.811 0.815 . . . . 0.0 110.819 173.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.6 p -162.47 178.48 8.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 123.081 1.419 . . . . 0.0 111.509 -173.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.41 38.04 4.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 123.576 1.655 . . . . 0.0 109.547 172.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.63 174.35 6.12 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.387 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.68 HD22 ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -134.54 110.28 9.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.726 -174.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.22 91.93 0.03 OUTLIER 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.782 0.801 . . . . 0.0 110.887 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.58 118.91 37.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.703 0.763 . . . . 0.0 110.322 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -110.69 158.8 18.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.171 0.986 . . . . 0.0 112.27 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.35 146.07 12.06 Favored Glycine 0 C--O 1.243 0.713 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.678 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . . . -92.76 156.11 17.23 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.654 -0.91 . . . . 0.0 110.602 173.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.734 ' CD1' HG23 ' A' ' 102' ' ' ILE . 2.2 mp -64.95 135.4 55.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.727 1.251 . . . . 0.0 111.365 -173.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.67 37.6 30.0 Favored Glycine 0 C--O 1.26 1.769 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.235 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.745 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -133.19 131.0 39.87 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 119.537 1.669 . . . . 0.0 111.912 -171.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.63 140.12 35.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.867 0.841 . . . . 0.0 110.359 173.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 HD12 HD13 ' A' ' 100' ' ' LEU . 2.8 pt -142.36 -179.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 123.449 1.595 . . . . 0.0 112.877 -170.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -123.56 150.83 43.57 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.037 1.399 . . . . 0.0 112.268 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.093 HD12 ' CZ3' ' A' ' 35' ' ' TRP . 13.1 mt -103.45 119.56 39.12 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.442 172.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.55 117.44 34.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.487 1.613 . . . . 0.0 111.042 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -81.13 164.42 50.42 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.601 -177.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.901 ' CG ' HD23 ' A' ' 94' ' ' LEU . 11.1 Cg_endo -48.51 -177.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.382 1 C-N-CA 127.522 5.482 . . . . 0.0 115.022 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -88.97 31.07 0.88 Allowed 'General case' 0 C--O 1.244 0.802 0 CA-C-N 114.484 -1.235 . . . . 0.0 112.145 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -102.23 149.99 23.75 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.52 -0.738 . . . . 0.0 110.594 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.64 124.06 27.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.83 . . . . 0.0 111.113 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.546 ' HE2' HG21 ' A' ' 30' ' ' ILE . 12.3 ptm -79.6 167.99 19.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.86 0.838 . . . . 0.0 111.039 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 t -172.2 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.493 1.139 . . . . 0.0 111.18 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -87.92 -27.41 22.16 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.704 -172.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -108.69 -29.4 8.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.552 -1.342 . . . . 0.0 113.843 -171.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.546 HG21 ' HE2' ' A' ' 26' ' ' MET . 0.6 OUTLIER -85.88 144.12 10.16 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 122.0 -0.438 . . . . 0.0 110.63 -176.003 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.87 -37.01 0.82 Allowed 'General case' 0 C--O 1.258 1.549 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -172.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.803 ' O ' HD12 ' A' ' 33' ' ' ILE . 92.6 m-20 -113.71 157.17 22.55 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.284 1.516 . . . . 0.0 111.677 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.981 HG22 HG22 ' A' ' 85' ' ' ILE . 1.1 mm -147.2 123.81 3.04 Favored 'Isoleucine or valine' 0 C--O 1.259 1.553 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.112 -174.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' CE ' ' HG2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -130.4 138.94 50.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.93 1.824 . . . . 0.0 111.87 178.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 1.093 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 51.0 m95 -130.35 145.52 51.8 Favored 'General case' 0 C--O 1.25 1.121 0 C-N-CA 124.672 1.189 . . . . 0.0 109.928 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.55 163.35 33.15 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 121.332 -0.855 . . . . 0.0 110.736 -174.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.952 ' HG2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -100.79 97.26 7.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.585 1.183 . . . . 0.0 109.325 176.245 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.645 HG22 HG21 ' A' ' 80' ' ' ILE . 1.2 p -47.43 -30.62 3.48 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.82 -171.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -51.16 -41.4 60.13 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 121.775 -0.578 . . . . 0.0 112.406 -171.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -152.99 37.66 0.5 Allowed 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.18 -0.95 . . . . 0.0 112.324 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.653 ' HD2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 58.34 71.86 0.56 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.995 1.379 . . . . 0.0 111.184 172.252 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.952 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 10.4 tmtt? -129.88 85.06 2.26 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 122.258 1.028 . . . . 0.0 112.498 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.908 ' HB2' ' NE2' ' A' ' 46' ' ' GLN . 5.1 pttt -45.68 101.54 0.03 OUTLIER 'General case' 0 C--O 1.239 0.514 0 CA-C-O 122.617 1.198 . . . . 0.0 110.719 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.557 HG23 ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -91.33 -48.68 13.8 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.848 -172.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.995 ' HB3' HD12 ' A' ' 62' ' ' LEU . . . -125.33 142.13 51.67 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 121.506 -0.746 . . . . 0.0 110.566 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.908 ' NE2' ' HB2' ' A' ' 43' ' ' LYS . 11.0 mt-30 -156.15 156.14 33.71 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.828 1.299 . . . . 0.0 112.565 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CE1' HG22 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.92 112.93 12.85 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 123.59 0.756 . . . . 0.0 110.721 174.669 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HG2' ' CE ' ' A' ' 34' ' ' LYS . 41.1 mtp180 -139.16 101.77 4.35 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.751 -0.593 . . . . 0.0 111.352 -177.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.29 148.74 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.152 0.977 . . . . 0.0 110.685 175.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -89.32 40.83 1.0 Allowed 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.861 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.03 -10.9 9.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 173.352 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.571 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 43.4 tt0 169.11 97.72 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.911 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.462 HG22 ' CE1' ' A' ' 47' ' ' PHE . 8.6 p -78.74 175.11 10.76 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.608 0.718 . . . . 0.0 111.136 174.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -118.48 94.41 4.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.052 0.929 . . . . 0.0 110.902 173.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -164.94 57.99 0.13 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.961 0.886 . . . . 0.0 110.876 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -90.69 32.67 0.96 Allowed 'General case' 0 C--O 1.249 1.071 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.683 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.42 118.81 0.55 Allowed 'General case' 0 C--O 1.246 0.903 0 O-C-N 121.058 -1.026 . . . . 0.0 110.75 -176.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.77 -11.77 60.98 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 70' ' ' ILE . 8.8 t -58.15 -26.1 62.27 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.301 -0.874 . . . . 0.0 110.649 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.604 ' CE1' HG22 ' A' ' 70' ' ' ILE . 23.0 m-85 -150.01 93.25 1.99 Allowed 'General case' 0 C--O 1.248 0.976 0 O-C-N 121.837 -0.539 . . . . 0.0 110.536 171.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.688 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 6.7 tttp -125.79 135.17 51.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.999 0.904 . . . . 0.0 112.271 -172.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.995 HD12 ' HB3' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -80.34 151.19 29.59 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.156 0.583 . . . . 0.0 110.847 176.605 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.688 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 15.5 m-85 -109.88 174.13 6.01 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 121.165 -0.96 . . . . 0.0 111.299 174.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -65.86 -46.23 79.22 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 121.495 -0.753 . . . . 0.0 110.569 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -64.07 -20.13 65.73 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.448 -0.783 . . . . 0.0 110.385 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.68 ' O ' HG23 ' A' ' 21' ' ' ILE . . . 99.67 24.03 10.4 Favored Glycine 0 C--O 1.25 1.098 0 O-C-N 121.556 -0.715 . . . . 0.0 113.075 171.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.495 HG23 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -87.53 150.37 23.77 Favored 'General case' 0 C--O 1.247 0.971 0 O-C-N 120.857 -1.378 . . . . 0.0 110.731 173.043 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.939 HD21 HD11 ' A' ' 19' ' ' LEU . 7.7 tt -108.24 109.54 20.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.014 0.912 . . . . 0.0 111.613 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 11.8 ttmt -80.95 142.81 33.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.602 0.715 . . . . 0.0 110.963 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.615 HG13 HD22 ' A' ' 68' ' ' LEU . 2.3 mt -126.69 115.97 43.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-O 121.667 0.746 . . . . 0.0 110.624 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' HZ3' ' HG3' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -81.41 135.15 35.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.64 0.733 . . . . 0.0 111.39 -176.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t60 61.34 121.66 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.278 1.513 . . . . 0.0 111.362 -173.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.745 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 3.1 tm? -139.09 85.52 2.07 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.979 -1.076 . . . . 0.0 113.107 -178.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -107.28 -171.71 1.93 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.673 1.225 . . . . 0.0 109.834 169.153 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.437 ' HA ' HG13 ' A' ' 102' ' ' ILE . 88.3 m -47.18 -25.56 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.63 170.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.458 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -77.95 -49.05 14.89 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.833 0.825 . . . . 0.0 111.549 179.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.416 ' HB2' ' HA ' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -87.67 13.72 9.86 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.516 -0.74 . . . . 0.0 111.619 -176.623 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.56 ' HG3' HG12 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -93.21 101.49 13.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.317 1.056 . . . . 0.0 111.505 174.414 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.19 174.18 7.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.283 1.039 . . . . 0.0 111.183 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.645 HG21 HG22 ' A' ' 38' ' ' THR . 2.8 mp -96.54 151.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.91 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.881 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 73.8 m-85 -141.08 165.16 28.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.555 1.169 . . . . 0.0 111.423 -171.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 20.3 ttpt -151.58 133.82 15.24 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.697 173.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG11 ' HB2' ' A' ' 96' ' ' LYS . 2.9 p -108.27 113.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.884 1.326 . . . . 0.0 110.94 -173.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.467 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 2.3 p -116.36 111.29 19.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.238 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.981 HG22 HG22 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -118.42 123.22 71.25 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -173.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.639 ' HA ' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -113.82 180.0 3.8 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 120.989 -1.07 . . . . 0.0 111.816 -167.713 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.752 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -97.89 -171.29 2.14 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.092 0.949 . . . . 0.0 110.862 -177.255 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -24.53 56.36 Favored 'General case' 0 C--O 1.252 1.229 0 O-C-N 121.403 -0.81 . . . . 0.0 112.133 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -112.44 30.14 7.34 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 120.951 -1.093 . . . . 0.0 112.154 -173.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.78 18.07 69.96 Favored Glycine 0 C--O 1.25 1.119 0 O-C-N 121.282 -0.886 . . . . 0.0 113.126 173.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.752 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -90.25 123.12 33.77 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.121 -1.223 . . . . 0.0 111.472 -177.351 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.31 99.39 0.03 OUTLIER 'General case' 0 C--O 1.243 0.724 0 O-C-N 121.511 -0.743 . . . . 0.0 110.736 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.706 HG21 ' O ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -77.55 -50.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 123.209 1.48 . . . . 0.0 110.468 -179.516 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.901 HD23 ' CG ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -152.12 145.44 24.74 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.994 175.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.404 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -129.63 153.46 48.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 -178.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.652 ' HB2' HG11 ' A' ' 83' ' ' VAL . 4.5 mmmt -146.5 163.75 34.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.478 ' O ' ' HD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -126.18 138.54 54.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.749 0.785 . . . . 0.0 110.904 -178.424 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.68 ' CD1' HD22 ' A' ' 7' ' ' LEU . 20.8 m-30 -134.16 172.08 13.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.161 0.981 . . . . 0.0 111.744 -172.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' HB3' HG22 ' A' ' 80' ' ' ILE . 1.5 p30 -158.36 111.71 2.41 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.487 0.66 . . . . 0.0 111.742 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.881 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.31 141.25 47.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.868 0.842 . . . . 0.0 110.962 173.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.441 ' C ' ' HG3' ' A' ' 78' ' ' GLN . 28.0 mttp -130.02 -176.73 4.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 123.193 1.473 . . . . 0.0 111.423 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.734 HG23 ' CD1' ' A' ' 13' ' ' LEU . 5.0 mm -142.82 140.36 27.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.832 170.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.409 ' HG2' ' HG3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -95.06 145.34 25.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.258 -171.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.07 53.3 0.18 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 124.241 1.972 . . . . 0.0 110.405 -173.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.409 ' HG3' ' HG2' ' A' ' 103' ' ' GLN . 2.2 mtm180 . . . . . 0 C--O 1.27 2.169 0 CA-C-N 113.432 -1.713 . . . . 0.0 111.012 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . 0.457 ' H4 ' ' C5 ' ' A' ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . 0.457 ' C5 ' ' H4 ' ' A' ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.944 0.878 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -118.95 120.33 36.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.892 0.853 . . . . 0.0 110.98 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -148.71 136.89 14.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.868 0.842 . . . . 0.0 110.954 -175.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.9 p -127.84 168.21 15.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.948 0.88 . . . . 0.0 110.972 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.718 ' O ' HD11 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -139.18 45.45 1.97 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.386 1.089 . . . . 0.0 111.004 173.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 5' ' ' ASN . . . 179.81 167.75 1.21 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.113 0.958 . . . . 0.0 111.236 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD11 ' CE2' ' A' ' 98' ' ' PHE . 10.1 mt -142.58 78.94 1.64 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.205 1.002 . . . . 0.0 110.689 173.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -47.19 104.26 0.05 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.162 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.905 HG23 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -112.75 159.62 18.77 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.906 -0.496 . . . . 0.0 110.393 176.585 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -147.92 159.58 43.71 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 121.744 -0.597 . . . . 0.0 110.539 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.79 -170.45 24.38 Favored Glycine 0 C--O 1.239 0.413 0 CA-C-O 123.074 1.374 . . . . 0.0 112.731 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB2' ' OE1' ' A' ' 15' ' ' GLN . . . -124.97 170.79 10.77 Favored 'General case' 0 C--O 1.242 0.664 0 O-C-N 121.543 -0.975 . . . . 0.0 110.688 173.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.085 ' CD1' HD11 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -89.96 134.33 34.29 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.592 1.663 . . . . 0.0 113.415 -172.556 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 47.04 7.06 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -172.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' OE1' ' HB2' ' A' ' 12' ' ' ALA . 1.2 tt0 -157.87 142.77 16.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 124.831 2.253 . . . . 0.0 116.164 -167.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 158.34 21.9 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.045 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 1.053 HG22 HD23 ' A' ' 100' ' ' LEU . 8.7 tt -160.32 156.13 3.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.958 0.885 . . . . 0.0 110.811 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -116.74 121.24 41.03 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.237 1.018 . . . . 0.0 111.513 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.962 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 6.5 mt -79.58 107.69 12.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.934 0.874 . . . . 0.0 110.119 172.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -151.48 0.09 Allowed 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -171.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.909 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -165.74 150.39 7.63 Favored Pre-proline 0 C--N 1.318 -0.767 0 O-C-N 121.484 -0.76 . . . . 0.0 110.363 -172.341 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.909 ' HD2' HG12 ' A' ' 21' ' ' ILE . 10.5 Cg_exo -40.49 177.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.439 1 C-N-CA 126.941 5.094 . . . . 0.0 116.143 177.315 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.59 31.6 0.75 Allowed 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.691 -172.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.083 ' HD2' HD11 ' A' ' 94' ' ' LEU . 22.7 m-85 -107.28 164.8 11.87 Favored 'General case' 0 C--O 1.244 0.815 0 O-C-N 121.479 -0.763 . . . . 0.0 110.557 171.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -139.69 114.09 9.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.973 0.892 . . . . 0.0 111.055 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.981 ' HG2' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -80.3 171.38 15.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.866 0.841 . . . . 0.0 110.826 177.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -97.77 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.093 0.949 . . . . 0.0 110.736 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.33 -27.25 24.42 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.049 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -83.63 -28.02 28.73 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.235 -0.916 . . . . 0.0 113.107 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.981 HD11 ' HG2' ' A' ' 26' ' ' MET . 1.9 mt -86.6 142.0 13.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 -175.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.76 -30.25 4.18 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -171.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -133.19 168.32 18.76 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.163 1.459 . . . . 0.0 111.87 -172.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.984 HG22 HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -148.41 153.45 11.41 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.549 -173.214 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.686 ' HZ1' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -158.36 144.4 17.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.739 1.733 . . . . 0.0 112.593 172.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.962 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 32.7 m95 -137.25 109.28 7.19 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.162 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.07 167.69 9.87 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.167 0.984 . . . . 0.0 110.796 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.549 ' HG3' HG22 ' A' ' 44' ' ' ILE . 4.0 mttt -94.8 -178.03 4.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.412 1.101 . . . . 0.0 111.107 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 1.013 HG23 ' HB ' ' A' ' 80' ' ' ILE . 39.4 p -45.63 -120.62 0.0 OUTLIER 'General case' 0 C--O 1.256 1.443 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.543 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 1.3 m -74.49 -22.59 58.99 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 119.775 -1.828 . . . . 0.0 110.44 -172.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.77 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -61.94 -36.34 81.12 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.277 172.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.77 ' HG3' ' C ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 49.56 45.19 24.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.76 1.267 . . . . 0.0 110.185 -178.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.802 ' HB3' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -118.72 111.58 18.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.625 1.202 . . . . 0.0 110.965 -172.546 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.686 ' HD3' ' HZ1' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -49.57 95.9 0.01 OUTLIER 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.661 -173.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.549 HG22 ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.35 -31.54 52.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 121.697 -0.627 . . . . 0.0 110.669 171.214 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . . . -140.45 135.89 32.45 Favored 'General case' 0 C--O 1.259 1.559 0 O-C-N 121.75 -0.594 . . . . 0.0 110.573 -174.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.593 ' HB3' ' HD2' ' A' ' 54' ' ' PHE . 4.5 tt0 -159.2 156.47 28.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 123.808 1.766 . . . . 0.0 113.824 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.546 ' HD1' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -120.51 135.0 55.2 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.431 172.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.546 ' N ' ' HD1' ' A' ' 47' ' ' PHE . 18.1 ttt180 -162.75 114.18 1.53 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.456 0.646 . . . . 0.0 111.129 -177.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 tptm 68.13 146.65 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.966 0.888 . . . . 0.0 110.607 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -90.26 35.93 0.87 Allowed 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.636 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -120.08 -8.4 9.75 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 178.81 145.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.044 -174.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 p -121.94 168.83 11.44 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.644 0.735 . . . . 0.0 111.048 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.593 ' HD2' ' HB3' ' A' ' 46' ' ' GLN . 3.0 t80 -109.45 97.16 6.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.642 0.734 . . . . 0.0 110.975 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.31 92.42 0.73 Allowed 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -75.51 -31.85 60.31 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.666 -0.647 . . . . 0.0 111.565 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -150.09 158.39 44.12 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.433 -0.792 . . . . 0.0 110.896 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -22.12 60.97 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.566 -0.709 . . . . 0.0 112.707 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.0 m -48.52 -23.04 0.85 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.055 0.455 . . . . 0.0 110.325 174.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' HE2' ' CE2' ' A' ' 81' ' ' TYR . 22.8 m-85 -150.97 83.88 1.33 Allowed 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 172.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.73 ' HB3' ' HE1' ' A' ' 63' ' ' PHE . 1.4 tttt -94.29 158.78 15.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.918 1.342 . . . . 0.0 112.482 -172.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.917 HD13 HG23 ' A' ' 33' ' ' ILE . 15.7 tp -117.04 145.44 43.71 Favored 'General case' 0 C--O 1.254 1.337 0 C-N-CA 124.126 0.97 . . . . 0.0 109.865 172.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.76 ' HD1' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -126.89 168.44 14.49 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.959 -1.088 . . . . 0.0 111.294 178.099 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.509 ' O ' ' HE3' ' A' ' 26' ' ' MET . 0.2 OUTLIER -68.95 -33.22 73.35 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.62 0.724 . . . . 0.0 111.148 -176.141 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -84.64 9.13 14.6 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.533 -0.729 . . . . 0.0 112.102 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.57 17.15 64.58 Favored Glycine 0 C--O 1.252 1.219 0 O-C-N 120.857 -1.152 . . . . 0.0 112.851 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -90.22 149.72 22.28 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.842 -1.387 . . . . 0.0 111.081 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.621 HD11 ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -129.25 115.81 18.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.758 0.79 . . . . 0.0 111.101 173.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 tttt -104.26 105.92 16.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.913 -0.492 . . . . 0.0 111.884 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.581 HG21 ' HA ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -99.71 118.74 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.547 1.165 . . . . 0.0 108.667 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -91.24 136.15 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 118.65 2.833 . . . . 0.0 118.65 -165.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.486 ' O ' HD22 ' A' ' 73' ' ' LEU . 55.8 t-80 35.16 85.42 0.01 OUTLIER 'General case' 0 C--O 1.242 0.666 0 C-N-CA 127.592 2.357 . . . . 0.0 115.014 166.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.889 ' HB2' ' CG ' ' A' ' 77' ' ' ASP . 61.4 mt -158.29 169.87 23.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 125.378 2.513 . . . . 0.0 114.073 174.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.861 ' HA ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 -153.86 0.33 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.295 -171.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.515 ' N ' HD13 ' A' ' 13' ' ' LEU . 67.8 m -48.92 -23.06 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.799 -1.188 . . . . 0.0 112.955 172.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -46.87 88.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.502 1.144 . . . . 0.0 111.962 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.889 ' CG ' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -69.37 -11.36 60.76 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.056 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.531 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -79.97 115.94 19.83 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.261 -0.9 . . . . 0.0 110.77 177.585 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.481 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 8.7 m-20 -153.55 173.08 16.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.513 1.149 . . . . 0.0 111.151 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 1.013 ' HB ' HG23 ' A' ' 38' ' ' THR . 1.0 OUTLIER -96.32 131.91 41.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-O 123.381 1.562 . . . . 0.0 110.607 173.019 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.628 ' CE2' ' HE2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -126.36 167.19 15.87 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.322 1.049 . . . . 0.0 110.631 -173.095 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.783 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 3.0 ttpm? -153.37 130.17 10.89 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.167 -0.958 . . . . 0.0 110.705 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.834 HG13 ' CE1' ' A' ' 98' ' ' PHE . 12.2 p -103.23 127.53 57.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 122.687 1.232 . . . . 0.0 111.457 -173.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -133.45 107.46 8.06 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 123.643 0.777 . . . . 0.0 110.423 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.984 HG22 HG22 ' A' ' 33' ' ' ILE . 2.0 mm -116.19 119.55 62.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.559 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.033 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.532 ' O ' HG22 ' A' ' 30' ' ' ILE . 4.6 m-85 -111.34 162.96 14.48 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 120.212 -1.555 . . . . 0.0 112.922 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.761 ' HB3' HG12 ' A' ' 93' ' ' VAL . 10.3 p-10 -88.54 -168.96 2.36 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.793 1.282 . . . . 0.0 111.263 174.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -30.21 71.27 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.46 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -89.83 16.33 8.28 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.44 -0.787 . . . . 0.0 112.414 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 16.37 70.39 Favored Glycine 0 C--O 1.252 1.228 0 O-C-N 120.887 -1.133 . . . . 0.0 112.459 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.19 143.16 27.21 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.018 -1.283 . . . . 0.0 111.282 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -78.72 84.51 4.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.262 1.03 . . . . 0.0 110.573 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.761 HG12 ' HB3' ' A' ' 87' ' ' ASP . 2.4 m -70.34 -18.6 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.742 0.782 . . . . 0.0 112.536 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 1.083 HD11 ' HD2' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -152.22 146.76 25.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.897 0.856 . . . . 0.0 110.88 174.148 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -154.07 152.34 30.35 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.352 0.596 . . . . 0.0 110.736 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.783 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -173.21 162.03 4.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.357 1.075 . . . . 0.0 111.297 -176.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.718 HD11 ' O ' ' A' ' 5' ' ' ASN . 5.1 mt -114.26 141.03 32.03 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.755 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.834 ' CE1' HG13 ' A' ' 83' ' ' VAL . 6.3 m-85 -136.53 167.32 21.59 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.455 -0.778 . . . . 0.0 111.197 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -161.56 87.39 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.031 0.92 . . . . 0.0 111.038 -173.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 1.053 HD23 HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.9 103.56 0.6 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.143 0.973 . . . . 0.0 111.111 173.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -101.98 161.72 13.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 123.264 1.507 . . . . 0.0 112.036 176.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 1.085 HD11 ' CD1' ' A' ' 13' ' ' LEU . 1.2 mm -127.6 153.33 36.73 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.623 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -143.49 143.23 31.48 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.724 1.25 . . . . 0.0 111.794 -171.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.16 54.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 124.512 2.101 . . . . 0.0 110.527 -173.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 C--O 1.27 2.149 0 CA-C-N 113.287 -1.779 . . . . 0.0 111.142 176.275 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . 0.527 ' H5 ' ' HD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 C--O 1.24 0.59 0 CA-C-O 121.935 0.874 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -129.27 83.64 2.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.825 0.821 . . . . 0.0 111.01 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mt -108.61 163.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.039 0.923 . . . . 0.0 111.079 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.1 p -100.38 175.55 5.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.593 1.187 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -134.09 43.94 2.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.861 1.315 . . . . 0.0 110.542 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.89 173.45 6.32 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 122.76 1.267 . . . . 0.0 111.535 -175.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.9 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 11.2 mt -127.85 94.67 4.0 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.541 1.162 . . . . 0.0 111.19 -173.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.44 107.55 0.15 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.054 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.61 141.97 45.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.724 0.773 . . . . 0.0 110.964 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -131.38 159.78 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.05 0.929 . . . . 0.0 111.085 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.86 -153.3 6.35 Favored Glycine 0 C--O 1.239 0.452 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.783 ' HA ' HG22 ' A' ' 102' ' ' ILE . . . -161.63 146.29 13.15 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 110.766 173.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.921 HD11 ' N ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -50.64 118.65 3.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 123.401 1.572 . . . . 0.0 110.64 174.036 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.921 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 90.18 43.98 4.84 Favored Glycine 0 C--O 1.245 0.84 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 174.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.717 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 2.1 tp60 -130.15 169.88 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 123.561 1.648 . . . . 0.0 112.951 -171.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.463 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -126.43 138.97 53.59 Favored 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 172.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.472 HG23 ' CD2' ' A' ' 100' ' ' LEU . 4.8 tp -147.49 172.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.579 1.18 . . . . 0.0 112.295 -171.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -131.33 138.73 49.33 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.094 0.95 . . . . 0.0 111.738 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.05 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.6 OUTLIER -87.11 95.21 9.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.576 0.703 . . . . 0.0 110.227 172.224 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.31 108.84 20.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.118 1.437 . . . . 0.0 111.603 -171.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.932 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 11.0 tp -70.26 154.79 94.28 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.035 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.932 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 10.4 Cg_exo -41.65 -175.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.386 1 C-N-CA 127.318 5.345 . . . . 0.0 116.346 173.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 29.78 0.74 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.717 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -104.85 122.71 46.32 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.435 0.636 . . . . 0.0 110.594 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.21 143.54 50.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.038 0.923 . . . . 0.0 111.398 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.457 ' HB2' ' CG2' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -71.82 154.54 41.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.924 0.869 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.8 t -132.94 -122.7 0.18 Allowed 'General case' 0 C--O 1.254 1.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 -175.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -88.12 -27.43 21.92 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 120.708 -1.245 . . . . 0.0 112.045 -173.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.7 -26.81 20.48 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.203 -0.936 . . . . 0.0 113.113 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.515 ' CD1' HG22 ' A' ' 93' ' ' VAL . 30.7 mt -87.52 161.67 2.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 CA-C-O 121.125 0.488 . . . . 0.0 110.817 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' HB2' HG23 ' A' ' 88' ' ' THR . 0.4 OUTLIER -150.07 -36.68 0.15 Allowed 'General case' 0 C--O 1.262 1.762 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -103.0 158.76 16.07 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.197 -1.564 . . . . 0.0 112.034 -171.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.071 HG23 HD13 ' A' ' 62' ' ' LEU . 5.2 mt -140.07 157.53 25.61 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.651 173.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -158.72 141.14 14.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.535 1.636 . . . . 0.0 112.228 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 1.05 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 38.7 m95 -133.36 120.84 21.5 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.011 172.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.6 150.97 22.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.67 0.748 . . . . 0.0 110.689 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.952 ' HB3' HG22 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -102.75 145.27 29.98 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.928 -0.482 . . . . 0.0 109.958 176.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.862 HG22 ' CG2' ' A' ' 80' ' ' ILE . 7.8 p -76.39 -37.12 57.62 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 121.354 -0.841 . . . . 0.0 111.701 -171.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -64.61 0.78 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.883 0.849 . . . . 0.0 111.143 -173.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -11.03 40.55 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.258 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 59.12 62.44 1.85 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.821 1.296 . . . . 0.0 110.471 -173.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -152.03 128.08 10.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 123.199 1.476 . . . . 0.0 112.964 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.92 97.89 0.01 OUTLIER 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.109 0.964 . . . . 0.0 112.544 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.952 HG22 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -68.11 -28.42 40.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.91 0 O-C-N 121.852 -0.53 . . . . 0.0 111.329 172.211 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . . . -144.39 146.83 32.74 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.231 -0.918 . . . . 0.0 110.768 -177.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -168.56 159.69 10.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 123.512 1.625 . . . . 0.0 112.834 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -123.51 134.52 53.87 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.821 175.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -167.98 126.02 1.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.973 0.892 . . . . 0.0 111.53 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' CE ' ' HB2' ' A' ' 51' ' ' LYS . 1.1 tttp 69.09 142.46 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.006 0.908 . . . . 0.0 110.999 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -90.59 36.98 0.9 Allowed 'General case' 0 C--O 1.251 1.151 0 O-C-N 121.822 -0.549 . . . . 0.0 111.665 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.531 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -120.24 -9.34 9.55 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 173.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER 172.14 150.7 0.06 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.211 -1.359 . . . . 0.0 110.949 -176.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.459 HG22 ' HE1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.68 -172.02 2.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.676 0.751 . . . . 0.0 111.038 -174.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.501 ' HD2' ' HA ' ' A' ' 45' ' ' ALA . 43.9 t80 -127.0 94.6 4.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.905 0.859 . . . . 0.0 111.246 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -159.34 62.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.252 1.025 . . . . 0.0 110.612 173.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -26.55 47.14 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.696 -172.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.552 ' HB2' HG23 ' A' ' 59' ' ' THR . 11.2 mmmt -149.31 168.03 24.45 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.94 -1.1 . . . . 0.0 111.292 -173.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.26 -10.56 56.36 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.667 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.552 HG23 ' HB2' ' A' ' 57' ' ' LYS . 10.2 t -65.12 -21.33 66.78 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.266 -0.897 . . . . 0.0 110.916 173.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.876 ' HE1' ' HE2' ' A' ' 81' ' ' TYR . 21.9 m-85 -150.09 92.42 1.88 Allowed 'General case' 0 C--O 1.245 0.824 0 O-C-N 121.596 -0.69 . . . . 0.0 110.754 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -110.77 154.55 23.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.698 1.237 . . . . 0.0 111.858 -173.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 1.071 HD13 HG23 ' A' ' 33' ' ' ILE . 4.9 tp -108.25 150.03 27.82 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.741 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.79 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -128.85 177.43 7.09 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.176 -0.952 . . . . 0.0 111.361 177.325 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -72.6 -40.97 66.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.768 0.794 . . . . 0.0 111.423 -173.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -87.22 15.39 6.32 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.936 -0.477 . . . . 0.0 112.182 -173.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.89 22.94 67.83 Favored Glycine 0 C--O 1.251 1.175 0 O-C-N 121.0 -1.063 . . . . 0.0 112.409 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -90.59 141.14 29.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 120.951 -1.323 . . . . 0.0 111.132 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.883 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.5 tt -107.74 153.07 23.5 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.399 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.79 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 tmmt? -134.27 114.16 12.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.744 HD12 ' HH ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -108.68 103.05 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 122.229 1.014 . . . . 0.0 110.736 -178.147 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -89.3 140.69 29.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 -173.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 61.68 123.27 0.01 OUTLIER 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.95 1.357 . . . . 0.0 110.822 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.774 HD23 HD13 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -139.82 163.35 32.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.751 1.263 . . . . 0.0 109.319 -171.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.835 ' HB3' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -153.58 -148.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.446 168.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.457 ' HA ' HG13 ' A' ' 102' ' ' ILE . 96.2 m -82.0 -29.96 31.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 123.7 1.714 . . . . 0.0 109.431 164.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -54.05 12.58 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.213 172.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.501 ' CB ' ' HA ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.11 -0.87 10.59 Favored 'General case' 0 C--O 1.254 1.341 0 O-C-N 121.016 -1.052 . . . . 0.0 110.604 -177.028 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.536 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -87.58 137.85 31.98 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.691 -1.256 . . . . 0.0 110.625 171.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-20 -158.49 167.5 29.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.272 1.034 . . . . 0.0 111.769 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.862 ' CG2' HG22 ' A' ' 38' ' ' THR . 2.4 mp -92.22 143.53 11.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 O-C-N 121.703 -0.623 . . . . 0.0 110.044 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.876 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 84.1 m-85 -134.07 169.38 17.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.988 0.899 . . . . 0.0 110.826 -171.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.8 128.03 12.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.887 0.851 . . . . 0.0 110.808 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.723 HG12 ' HE1' ' A' ' 98' ' ' PHE . 3.7 p -104.99 115.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.572 1.177 . . . . 0.0 110.896 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -125.61 119.64 28.63 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.601 0.761 . . . . 0.0 110.079 176.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.904 ' CD1' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -125.53 129.52 72.81 Favored 'Isoleucine or valine' 0 C--O 1.26 1.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -172.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.509 ' O ' HG22 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -124.48 165.13 18.32 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 120.203 -1.56 . . . . 0.0 112.472 -167.378 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.537 ' OD1' HG11 ' A' ' 93' ' ' VAL . 3.9 p-10 -79.43 -174.56 4.28 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 122.317 1.055 . . . . 0.0 111.088 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.511 HG23 ' HB2' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -60.91 -32.0 71.5 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.582 -177.803 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.413 ' HB2' ' HE3' ' A' ' 91' ' ' LYS . 34.7 mtmt -95.53 25.27 4.59 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.419 -0.801 . . . . 0.0 112.33 -173.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.82 25.03 70.32 Favored Glycine 0 C--O 1.249 1.044 0 O-C-N 121.006 -1.059 . . . . 0.0 112.727 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 89' ' ' LYS . 0.9 OUTLIER -90.52 127.66 36.31 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.174 -1.192 . . . . 0.0 111.264 173.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 93.22 1.69 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.006 0.908 . . . . 0.0 110.713 175.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.537 HG11 ' OD1' ' A' ' 87' ' ' ASP . 29.6 m -76.63 -37.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.59 1.186 . . . . 0.0 111.689 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.855 HD21 ' H ' ' A' ' 95' ' ' GLU . 0.8 OUTLIER -155.67 142.15 18.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.609 1.195 . . . . 0.0 110.778 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.855 ' H ' HD21 ' A' ' 94' ' ' LEU . 13.3 pt-20 -145.36 170.88 15.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.507 1.146 . . . . 0.0 111.884 -172.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HD3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -170.59 159.25 6.64 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.917 -178.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.73 129.56 75.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 CA-C-O 121.364 0.602 . . . . 0.0 110.885 -178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.9 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 19.4 m-85 -115.99 171.64 7.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.913 0.863 . . . . 0.0 111.271 -174.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.99 94.12 1.5 Allowed 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.872 -0.518 . . . . 0.0 111.506 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.774 HD13 HD23 ' A' ' 73' ' ' LEU . 1.5 tm? -77.08 130.89 38.0 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.318 -0.864 . . . . 0.0 110.908 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.719 ' N ' HD12 ' A' ' 100' ' ' LEU . 47.3 mttt -133.69 171.34 14.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.051 0.929 . . . . 0.0 111.352 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.783 HG22 ' HA ' ' A' ' 12' ' ' ALA . 31.7 mm -120.72 145.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 122.049 0.928 . . . . 0.0 110.526 172.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.15 141.35 50.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.487 -174.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.57 86.11 0.57 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.055 1.407 . . . . 0.0 110.631 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.5 ptt85 . . . . . 0 C--O 1.27 2.172 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.075 -177.844 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . 0.663 ' H5 ' ' HD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . 0.429 ' H1 ' ' H62' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . 0.438 ' H2 ' ' H5 ' ' A' ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . 0.438 ' H5 ' ' H2 ' ' A' ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.953 0.883 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -141.0 71.28 1.36 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.856 0.836 . . . . 0.0 110.995 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' O ' HG21 ' A' ' 4' ' ' THR . 1.1 mm -88.05 113.88 25.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.769 0.795 . . . . 0.0 110.96 174.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.401 HG21 ' O ' ' A' ' 3' ' ' ILE . 16.4 p -162.08 174.49 12.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.655 1.217 . . . . 0.0 111.547 -173.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.61 46.36 1.49 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.481 1.134 . . . . 0.0 110.442 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.52 177.93 8.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.439 1.59 . . . . 0.0 112.152 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.03 HD22 ' CD2' ' A' ' 98' ' ' PHE . 9.1 tp -127.75 123.39 35.21 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.65 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.89 94.0 0.3 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.869 0.843 . . . . 0.0 110.956 173.616 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.939 HG22 HD22 ' A' ' 19' ' ' LEU . 2.4 m -101.51 100.68 11.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.867 0.842 . . . . 0.0 110.822 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -98.23 157.15 16.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.026 0.917 . . . . 0.0 111.579 -173.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.633 ' HA3' HG23 ' A' ' 17' ' ' ILE . . . -157.18 -144.75 4.02 Favored Glycine 0 C--O 1.24 0.475 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 1.067 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . . . -139.56 166.33 24.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.877 0.846 . . . . 0.0 110.934 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 9.4 tt -93.16 116.72 29.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.829 1.299 . . . . 0.0 110.63 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.42 44.12 8.15 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -169.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 1.067 ' CG ' ' HB2' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -127.34 -170.52 2.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 124.38 2.038 . . . . 0.0 112.855 -169.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.44 126.12 17.95 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.723 171.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.633 HG23 ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -142.03 173.55 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.516 0 CA-C-O 122.633 1.206 . . . . 0.0 111.364 -172.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -119.57 173.6 6.9 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 123.759 1.743 . . . . 0.0 112.855 -173.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.959 ' CD1' HD22 ' A' ' 68' ' ' LEU . 11.4 mt -127.09 124.23 38.73 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 125.202 1.401 . . . . 0.0 109.793 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.1 -163.95 1.11 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.0 1.381 . . . . 0.0 111.565 -171.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.934 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.73 157.6 14.4 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.559 -171.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.934 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 21.1 Cg_exo -43.11 169.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.552 1 C-N-CA 126.579 4.853 . . . . 0.0 115.214 -178.078 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.99 31.97 0.94 Allowed 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.441 -0.787 . . . . 0.0 111.884 -173.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -90.52 168.37 11.87 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.317 -0.864 . . . . 0.0 110.836 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -126.44 66.28 1.23 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.357 1.075 . . . . 0.0 111.045 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.49 ' HE1' ' O ' ' A' ' 64' ' ' LYS . 1.8 ptt? -55.6 131.32 46.04 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.467 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -124.34 -120.31 0.27 Allowed 'General case' 0 C--O 1.254 1.298 0 O-C-N 121.311 -0.868 . . . . 0.0 110.216 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.93 12.01 4.5 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 120.738 -1.226 . . . . 0.0 112.53 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -93.1 -28.02 16.59 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.741 -1.224 . . . . 0.0 112.855 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.922 HD13 HG22 ' A' ' 93' ' ' VAL . 2.1 mm -90.07 145.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.749 0.785 . . . . 0.0 111.152 -173.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.27 -37.96 1.62 Allowed 'General case' 0 C--O 1.251 1.136 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.209 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.32 155.99 27.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.765 1.269 . . . . 0.0 111.659 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.076 HG22 HG22 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -149.73 132.0 6.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.507 -176.344 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -140.73 135.76 31.88 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.134 1.445 . . . . 0.0 112.103 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.943 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 55.8 m95 -131.2 125.41 32.88 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.917 172.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.01 159.62 25.26 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-O 121.432 0.635 . . . . 0.0 110.847 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 26.7 ttpt -84.21 97.26 9.29 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.744 HG21 ' C ' ' A' ' 81' ' ' TYR . 19.3 p -35.55 -42.22 0.22 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -171.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -64.18 -71.23 0.18 Allowed 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.487 0.66 . . . . 0.0 112.211 -173.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 19.62 15.4 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 121.344 -0.848 . . . . 0.0 113.059 -172.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.67 61.69 2.87 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 120.978 -1.076 . . . . 0.0 110.46 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 20.9 mttp -119.35 94.38 4.4 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 122.597 1.189 . . . . 0.0 112.422 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -44.8 99.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.046 0.927 . . . . 0.0 111.445 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.971 HD11 ' CD1' ' A' ' 60' ' ' TYR . 28.1 pt -92.33 -45.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.135 0.969 . . . . 0.0 110.976 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . . . -133.95 142.44 47.69 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.529 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.523 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 5.2 tt0 -160.61 153.95 21.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.106 1.432 . . . . 0.0 112.414 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.523 ' HD1' ' O ' ' A' ' 46' ' ' GLN . 2.0 m-85 -138.01 85.75 2.12 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.744 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -104.96 79.3 1.49 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-O 121.284 0.564 . . . . 0.0 111.184 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 69.13 154.59 0.12 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.362 1.077 . . . . 0.0 110.164 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -86.91 40.01 0.88 Allowed 'General case' 0 C--O 1.249 1.078 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.297 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.84 -6.93 11.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.633 1.206 . . . . 0.0 113.918 172.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -175.77 75.25 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.837 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.18 171.55 10.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.866 0.841 . . . . 0.0 111.269 -173.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.415 ' C ' ' HD1' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -132.67 101.25 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.764 0.792 . . . . 0.0 111.27 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 53.59 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.865 0.841 . . . . 0.0 111.106 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -1.45 28.56 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -173.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.66 ' HB3' HG23 ' A' ' 59' ' ' THR . 8.6 tttm -155.07 149.84 26.59 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 120.811 -1.18 . . . . 0.0 111.303 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -74.37 -17.53 60.8 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.66 HG23 ' HB3' ' A' ' 57' ' ' LYS . 10.2 t -52.01 -26.5 10.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.86 0.838 . . . . 0.0 110.731 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.971 ' CD1' HD11 ' A' ' 44' ' ' ILE . 49.3 m-85 -150.67 96.02 2.31 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 121.223 0.535 . . . . 0.0 110.614 171.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.65 126.0 53.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.894 0.854 . . . . 0.0 111.694 -172.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.739 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 1.1 tp -86.7 141.56 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 121.479 -0.763 . . . . 0.0 111.196 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.728 ' H ' HD11 ' A' ' 62' ' ' LEU . 22.7 m-85 -112.51 173.67 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.993 0.901 . . . . 0.0 111.256 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' O ' ' HE1' ' A' ' 26' ' ' MET . 13.1 ptmt -77.3 -39.98 45.98 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.743 0.782 . . . . 0.0 111.154 -178.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -70.43 -5.17 26.51 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 121.679 -0.638 . . . . 0.0 111.843 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.78 17.32 33.32 Favored Glycine 0 C--O 1.252 1.232 0 O-C-N 120.84 -1.162 . . . . 0.0 112.462 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.648 HG21 ' O ' ' A' ' 19' ' ' LEU . 1.3 m -90.1 168.17 12.18 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 120.86 -1.376 . . . . 0.0 110.947 173.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.959 HD22 ' CD1' ' A' ' 19' ' ' LEU . 18.3 tp -135.12 130.34 35.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.715 0.769 . . . . 0.0 111.026 174.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.606 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -107.96 126.14 52.35 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.378 -0.827 . . . . 0.0 110.902 -173.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.595 HD13 ' HH ' ' A' ' 60' ' ' TYR . 1.1 tt -121.83 112.53 35.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.752 1.263 . . . . 0.0 110.102 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.88 149.17 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.56 1.172 . . . . 0.0 112.009 -172.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 49.68 81.03 0.06 Allowed 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.18 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 1.039 HD22 ' CD2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -132.93 100.95 5.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.861 1.791 . . . . 0.0 113.095 -173.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.19 -159.19 0.66 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.115 171.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 m -49.86 -28.98 7.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.518 1.151 . . . . 0.0 111.978 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -32.62 31.12 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.219 -173.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.798 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -73.97 -19.54 60.63 Favored 'General case' 0 C--O 1.255 1.37 0 O-C-N 121.219 -0.926 . . . . 0.0 111.99 177.491 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.684 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -69.22 103.59 1.98 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.099 -1.001 . . . . 0.0 110.938 -174.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -133.96 162.79 31.1 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 110.92 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.526 HG21 HG22 ' A' ' 38' ' ' THR . 0.1 OUTLIER -89.16 147.2 5.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.768 0.794 . . . . 0.0 110.539 175.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.908 ' CD2' HD13 ' A' ' 19' ' ' LEU . 14.5 m-85 -138.27 166.46 24.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.078 0.942 . . . . 0.0 111.522 -171.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' HB2' HG23 ' A' ' 38' ' ' THR . 13.3 ttmt -154.35 129.07 9.33 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.785 173.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.856 HG13 ' CE1' ' A' ' 98' ' ' PHE . 9.8 p -101.97 121.47 53.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 122.7 1.238 . . . . 0.0 111.314 -173.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.659 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 85.1 p -117.29 112.87 21.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.462 173.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 1.076 HG22 HG22 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -121.82 119.27 58.25 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-O 121.305 0.574 . . . . 0.0 109.912 -173.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.685 ' N ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -115.19 160.36 19.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.702 1.239 . . . . 0.0 112.588 -167.319 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' ' 93' ' ' VAL . 31.3 p30 -90.6 -176.35 4.71 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.544 1.164 . . . . 0.0 111.37 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -29.43 67.88 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.921 -175.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -93.89 26.03 3.37 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 121.215 -0.928 . . . . 0.0 112.512 -172.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.18 11.04 66.71 Favored Glycine 0 C--O 1.25 1.148 0 O-C-N 120.934 -1.104 . . . . 0.0 113.307 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 133.5 35.18 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 121.104 -1.233 . . . . 0.0 111.556 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -73.59 87.99 1.66 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.022 1.868 . . . . 0.0 109.436 172.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.922 HG22 HD13 ' A' ' 30' ' ' ILE . 19.5 m -72.15 -31.63 40.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 114.815 -1.084 . . . . 0.0 112.292 -172.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.844 HD23 ' HG2' ' A' ' 22' ' ' PRO . 29.8 tp -152.09 156.55 40.12 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.224 1.012 . . . . 0.0 110.836 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -160.29 151.28 19.01 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.793 0.806 . . . . 0.0 110.947 -172.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.865 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 9.9 mmtt -157.35 160.27 38.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.849 0.833 . . . . 0.0 110.867 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -114.51 141.0 32.52 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 121.605 0.717 . . . . 0.0 110.819 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.03 ' CD2' HD22 ' A' ' 7' ' ' LEU . 12.7 m-85 -142.29 178.21 7.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.925 0.869 . . . . 0.0 111.418 -173.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.503 ' HB3' HG22 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -177.21 117.25 0.1 Allowed 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.49 0.662 . . . . 0.0 111.922 176.469 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 1.039 ' CD2' HD22 ' A' ' 73' ' ' LEU . 1.1 tp -57.0 163.07 2.16 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.513 -0.742 . . . . 0.0 110.749 172.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.723 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 1.3 mttt -151.14 162.88 40.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.645 1.212 . . . . 0.0 111.769 173.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 13' ' ' LEU . 19.8 mm -117.52 141.66 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.006 0.908 . . . . 0.0 109.741 170.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.696 ' HG3' ' H ' ' A' ' 104' ' ' GLU . 1.1 tt0 -126.75 163.54 23.3 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.757 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.696 ' H ' ' HG3' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -163.99 87.3 0.5 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.875 1.322 . . . . 0.0 110.719 -173.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.271 2.186 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.157 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . 0.464 ' H61' ' C7 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . 0.464 ' C7 ' ' H61' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.466 ' HB2' ' HE2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.586 0 CA-C-O 121.965 0.888 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -168.37 149.02 4.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.995 0.903 . . . . 0.0 110.973 -174.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.29 103.91 15.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.986 0.898 . . . . 0.0 110.96 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.9 p -159.87 175.64 12.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.292 1.044 . . . . 0.0 110.904 -176.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -129.19 41.2 3.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 123.109 1.433 . . . . 0.0 110.192 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.4 172.95 15.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.878 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.106 HD11 ' CE2' ' A' ' 98' ' ' PHE . 85.4 mt -115.71 113.18 23.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.796 0.808 . . . . 0.0 111.155 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.41 86.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.544 1.164 . . . . 0.0 109.582 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.41 132.48 43.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.518 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -130.04 152.86 49.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.741 0.782 . . . . 0.0 111.359 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.4 -146.92 4.71 Favored Glycine 0 C--O 1.24 0.5 0 CA-C-O 121.968 0.76 . . . . 0.0 111.361 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.711 ' C ' HD12 ' A' ' 102' ' ' ILE . . . -150.59 134.13 16.47 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.86 -0.788 . . . . 0.0 111.03 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.031 HD12 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -48.62 122.04 5.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.636 1.684 . . . . 0.0 110.776 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.994 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 94.43 42.23 4.01 Favored Glycine 0 C--O 1.245 0.784 0 N-CA-C 108.452 -1.859 . . . . 0.0 108.452 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.488 ' O ' HD21 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -150.34 154.09 37.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.461 2.077 . . . . 0.0 115.102 -169.255 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.454 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -90.79 140.7 29.55 Favored 'General case' 0 C--O 1.251 1.164 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.408 171.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.703 HG21 HD12 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -139.02 150.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 122.251 1.024 . . . . 0.0 111.659 -172.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.438 ' N ' HG13 ' A' ' 17' ' ' ILE . 51.0 p-10 -98.76 147.0 25.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.926 1.346 . . . . 0.0 111.359 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.886 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 5.6 mt -108.51 106.74 16.97 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.04 -158.11 0.12 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.914 0.864 . . . . 0.0 110.901 -171.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.963 HG13 ' HD2' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -164.75 161.88 15.07 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 121.678 0.751 . . . . 0.0 110.809 -172.339 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.963 ' HD2' HG13 ' A' ' 21' ' ' ILE . 30.9 Cg_exo -45.18 174.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.455 1 C-N-CA 126.526 4.818 . . . . 0.0 115.167 177.662 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -90.15 32.03 0.95 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.789 -174.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.646 ' CD1' HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -131.73 149.26 52.54 Favored 'General case' 0 C--O 1.245 0.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.54 173.251 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.32 149.3 48.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.212 1.006 . . . . 0.0 111.143 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.744 ' HB3' HG23 ' A' ' 30' ' ' ILE . 4.6 ptt? -51.3 154.52 1.68 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.973 0.892 . . . . 0.0 110.912 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.03 -89.12 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.608 1.194 . . . . 0.0 111.041 -173.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.96 -58.35 5.73 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.057 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -154.68 49.57 0.6 Allowed 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.982 -1.074 . . . . 0.0 113.045 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.744 HG23 ' HB3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -89.88 142.42 12.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 O-C-N 120.791 -1.193 . . . . 0.0 110.144 171.617 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.43 -41.82 1.21 Allowed 'General case' 0 C--O 1.261 1.68 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -171.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -123.35 150.11 44.06 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.204 -1.56 . . . . 0.0 112.13 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.883 ' HA ' HG22 ' A' ' 85' ' ' ILE . 1.4 mp -144.92 110.98 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.771 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -113.71 146.06 40.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.558 1.17 . . . . 0.0 111.338 -173.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.886 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 40.6 m95 -138.69 124.18 19.48 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.688 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.21 165.9 12.64 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.811 -0.556 . . . . 0.0 110.948 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.675 ' HB3' HD12 ' A' ' 44' ' ' ILE . 4.1 ptmt -104.91 89.28 3.11 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.246 1.022 . . . . 0.0 108.857 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.462 ' OG1' HG21 ' A' ' 80' ' ' ILE . 3.1 p -47.06 -22.98 0.41 Allowed 'General case' 0 C--O 1.255 1.373 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -169.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -48.29 -69.15 0.13 Allowed 'General case' 0 C--O 1.244 0.8 0 O-C-N 120.927 -1.108 . . . . 0.0 111.025 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.659 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -101.57 16.96 24.07 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.724 -0.61 . . . . 0.0 112.002 172.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.552 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 14.0 pttt 46.36 57.14 5.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.815 1.293 . . . . 0.0 110.47 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.659 ' HB2' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -127.42 120.08 27.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 123.147 1.451 . . . . 0.0 112.83 -173.296 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.72 151.07 0.21 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 122.902 1.334 . . . . 0.0 112.321 -174.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.675 HD12 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -141.31 -43.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 122.396 1.093 . . . . 0.0 110.794 -179.046 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.736 ' HB2' HD12 ' A' ' 68' ' ' LEU . . . -140.74 145.54 36.56 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.472 174.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.14 147.27 12.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.971 1.367 . . . . 0.0 112.87 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.697 ' HD2' HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -120.43 123.08 42.15 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.323 172.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -145.2 83.83 1.69 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.328 0.585 . . . . 0.0 110.792 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.81 159.39 0.09 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.363 1.554 . . . . 0.0 110.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.48 37.02 0.67 Allowed 'General case' 0 C--O 1.249 1.044 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.364 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -119.44 -7.85 10.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.574 1.178 . . . . 0.0 114.119 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -179.88 110.09 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.944 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -120.64 -177.07 3.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.01 0.909 . . . . 0.0 111.058 -178.191 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' H ' HG23 ' A' ' 53' ' ' THR . 28.5 t80 -137.33 110.4 7.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.062 0.934 . . . . 0.0 111.233 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -164.87 76.84 0.3 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.777 0.799 . . . . 0.0 110.816 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -84.81 -22.56 29.48 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.789 -0.569 . . . . 0.0 112.396 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -149.93 172.34 15.34 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.792 -1.193 . . . . 0.0 111.494 -173.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.73 -23.66 18.84 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 94.8 m -45.89 -26.46 0.69 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.853 0.835 . . . . 0.0 110.245 173.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.984 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 35.4 m-85 -147.81 110.25 4.64 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.933 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.552 ' HB3' ' HE3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -135.47 144.9 46.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.114 1.435 . . . . 0.0 113.47 -175.288 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.697 HD11 ' HD2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -83.64 154.16 23.87 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.866 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.971 ' CD2' HG23 ' A' ' 67' ' ' THR . 93.2 m-85 -127.43 173.41 9.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.158 -0.964 . . . . 0.0 111.047 173.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -68.24 -54.38 18.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.983 0.897 . . . . 0.0 111.007 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -60.88 -14.5 22.57 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.05 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.509 ' HA2' HG23 ' A' ' 33' ' ' ILE . . . 99.86 27.54 7.85 Favored Glycine 0 C--O 1.248 1.02 0 O-C-N 121.047 -1.033 . . . . 0.0 111.874 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.971 HG23 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.51 167.51 12.53 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.074 -1.251 . . . . 0.0 110.751 172.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.736 HD12 ' HB2' ' A' ' 45' ' ' ALA . 13.4 tp -135.69 111.58 9.48 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.387 -0.821 . . . . 0.0 111.487 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.962 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -82.52 159.15 22.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.86 0.838 . . . . 0.0 110.714 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.765 HD13 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mt -135.27 117.56 21.76 Favored 'Isoleucine or valine' 0 C--O 1.259 1.594 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.106 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.454 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 7.8 tptm -91.17 136.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.26 101.38 0.01 OUTLIER 'General case' 0 C--O 1.252 1.234 0 C-N-CA 124.432 1.093 . . . . 0.0 113.02 172.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 1.065 HD23 HD13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -134.85 -178.57 5.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.479 1.133 . . . . 0.0 111.496 -173.625 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 1.031 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.5 mttt -151.05 -142.75 0.12 Allowed 'General case' 0 C--O 1.245 0.827 0 C-N-CA 125.123 1.369 . . . . 0.0 109.688 170.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -75.08 -23.19 57.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 123.142 1.448 . . . . 0.0 110.823 165.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.09 -34.55 56.86 Favored 'General case' 0 C--O 1.271 2.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 113.413 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 1.058 ' CB ' ' HB2' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -70.17 -6.07 31.7 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 121.152 1.797 . . . . 0.0 110.279 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.493 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -58.87 132.91 55.36 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.718 1.247 . . . . 0.0 110.916 171.606 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.4 m-20 -151.26 179.33 8.41 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 122.568 1.175 . . . . 0.0 110.672 172.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.588 HG22 ' OD1' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -104.44 145.24 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 122.034 0.921 . . . . 0.0 110.189 173.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.984 ' HE2' ' CE1' ' A' ' 60' ' ' TYR . 6.7 m-85 -144.54 163.41 33.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.739 0.781 . . . . 0.0 110.377 -172.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.828 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -160.37 133.79 6.84 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.21 0.529 . . . . 0.0 110.285 172.711 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.924 HG13 ' CE1' ' A' ' 98' ' ' PHE . 7.8 p -102.9 121.49 54.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 122.236 1.017 . . . . 0.0 110.815 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -119.3 107.58 13.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.652 0.739 . . . . 0.0 110.269 174.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.883 HG22 ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -116.81 119.52 62.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.974 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.378 -171.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.55 ' HD2' ' N ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -115.66 158.28 22.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 112.436 -169.597 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' H ' HG11 ' A' ' 93' ' ' VAL . 6.5 p30 -76.4 -173.05 2.34 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 122.052 0.93 . . . . 0.0 111.104 175.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -26.7 65.65 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 121.603 -0.686 . . . . 0.0 111.895 -178.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -90.34 19.22 5.33 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.098 -1.001 . . . . 0.0 112.48 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.76 13.03 60.62 Favored Glycine 0 C--O 1.249 1.048 0 O-C-N 120.938 -1.101 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 120.13 31.09 Favored 'General case' 0 C--O 1.245 0.82 0 O-C-N 121.093 -1.239 . . . . 0.0 111.427 -174.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.55 ' N ' ' HD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -58.48 94.07 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.81 1.291 . . . . 0.0 110.695 173.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 85' ' ' ILE . 13.1 m -77.47 -26.87 15.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 122.425 1.107 . . . . 0.0 111.993 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.731 HD23 ' CB ' ' A' ' 22' ' ' PRO . 53.9 tp -164.97 155.24 13.78 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.394 1.092 . . . . 0.0 110.852 173.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' H ' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -154.84 159.33 40.47 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.598 -173.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.828 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -172.69 156.25 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.004 0.907 . . . . 0.0 110.897 -177.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.44 152.68 7.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.781 1.277 . . . . 0.0 111.645 -172.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.106 ' CE2' HD11 ' A' ' 7' ' ' LEU . 45.6 m-85 -135.63 166.83 22.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.343 1.068 . . . . 0.0 111.674 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.588 ' OD1' HG22 ' A' ' 80' ' ' ILE . 1.9 m-20 -155.81 95.24 1.63 Allowed 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.673 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.747 ' CD1' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.75 146.55 7.83 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.945 0.878 . . . . 0.0 111.269 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -144.9 -177.71 5.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 123.55 1.643 . . . . 0.0 111.012 173.658 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 1.065 HD13 HD23 ' A' ' 73' ' ' LEU . 3.2 mt -151.45 160.12 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.828 170.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -137.83 140.31 40.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.001 0.905 . . . . 0.0 110.31 -172.315 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -159.42 84.41 0.77 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 124.056 1.884 . . . . 0.0 110.525 -172.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.269 2.121 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.286 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt . . . . . 0 C--O 1.239 0.551 0 CA-C-O 121.939 0.876 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.34 165.99 23.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.842 0.83 . . . . 0.0 110.761 174.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 tp -124.05 151.37 29.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.011 0.91 . . . . 0.0 111.161 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.5 p -121.41 175.37 6.2 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.406 1.098 . . . . 0.0 110.82 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -129.79 43.33 3.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.974 1.368 . . . . 0.0 110.362 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 172.08 7.05 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.413 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 4.5 tp -123.76 107.19 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.868 0.842 . . . . 0.0 110.943 -173.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -66.43 94.51 0.28 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.782 0.801 . . . . 0.0 110.913 174.26 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.828 HG21 ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -90.95 172.82 8.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 110.483 173.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 101' ' ' LYS . 93.3 m95 -160.59 148.77 16.33 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.808 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.576 ' HA3' HD11 ' A' ' 73' ' ' LEU . . . -159.97 116.52 0.72 Allowed Glycine 0 C--O 1.241 0.565 0 O-C-N 121.252 -0.905 . . . . 0.0 112.346 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.873 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -61.96 144.94 54.32 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.621 -0.929 . . . . 0.0 110.581 173.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.762 HD11 HG23 ' A' ' 102' ' ' ILE . 4.2 mp -57.91 134.04 55.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.601 1.191 . . . . 0.0 111.025 -173.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.69 31.55 44.39 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.216 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.873 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.1 tm0? -116.32 159.19 22.27 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.086 -1.244 . . . . 0.0 110.456 -173.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.24 131.07 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.406 1.098 . . . . 0.0 109.948 173.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.454 ' CD1' ' HB ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -135.77 177.93 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 123.1 1.429 . . . . 0.0 112.604 -170.755 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.688 ' O ' HD21 ' A' ' 19' ' ' LEU . 19.1 m-20 -117.73 177.88 4.6 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 123.343 1.544 . . . . 0.0 111.835 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.128 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 2.2 mm? -135.2 101.07 4.73 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 124.302 1.041 . . . . 0.0 109.268 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -94.57 110.22 22.05 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 123.313 1.53 . . . . 0.0 113.663 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 1.005 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 5.7 tp -72.87 154.77 90.99 Favored Pre-proline 0 C--O 1.246 0.902 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.121 170.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 1.005 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 10.0 Cg_endo -46.13 179.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.468 1 C-N-CA 127.241 5.294 . . . . 0.0 114.722 174.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.54 30.67 0.99 Allowed 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.838 -1.073 . . . . 0.0 112.224 -175.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.592 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -114.75 123.31 48.91 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 121.487 -0.758 . . . . 0.0 110.005 172.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.592 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.7 173.39 11.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.951 1.358 . . . . 0.0 112.113 -172.494 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.462 ' CB ' ' HB ' ' A' ' 30' ' ' ILE . 17.1 ptt? -66.53 174.69 2.65 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.887 -1.052 . . . . 0.0 111.221 -174.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -176.89 -61.14 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.962 1.363 . . . . 0.0 110.986 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -94.58 0.02 OUTLIER 'General case' 0 C--O 1.248 0.991 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.06 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.81 ' O ' HG21 ' A' ' 88' ' ' THR . 25.2 m-20 -122.37 27.83 7.72 Favored 'General case' 0 C--O 1.249 1.042 0 O-C-N 121.434 -0.791 . . . . 0.0 111.922 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.767 HD12 ' HB3' ' A' ' 87' ' ' ASP . 5.1 mm -71.95 122.32 24.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 O-C-N 121.213 -0.929 . . . . 0.0 110.252 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.69 -31.63 3.94 Favored 'General case' 0 C--O 1.257 1.481 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -171.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . 1.1 m-20 -100.44 142.1 32.37 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 120.756 -1.215 . . . . 0.0 111.311 -172.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.879 HG22 ' CG2' ' A' ' 85' ' ' ILE . 5.7 mt -148.85 104.25 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.876 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' HG3' ' CD ' ' A' ' 46' ' ' GLN . 21.5 tttt -114.64 152.27 32.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.594 1.664 . . . . 0.0 111.999 -173.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 1.128 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.8 m95 -144.17 126.0 15.24 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.296 173.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -132.8 168.52 18.21 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.401 -0.812 . . . . 0.0 111.192 -171.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' NZ ' HG21 ' A' ' 44' ' ' ILE . 2.3 mtmm -83.22 117.66 23.09 Favored 'General case' 0 C--O 1.249 1.074 0 O-C-N 121.336 -0.853 . . . . 0.0 109.022 171.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.7 HG23 ' HB2' ' A' ' 82' ' ' LYS . 74.6 p -54.13 -44.79 71.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.989 0.9 . . . . 0.0 111.283 -170.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -61.19 -84.28 0.01 OUTLIER 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.754 0.788 . . . . 0.0 111.383 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.808 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.34 13.61 3.47 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 121.736 -0.602 . . . . 0.0 112.606 -174.029 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.808 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER 51.79 62.89 2.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.035 1.398 . . . . 0.0 110.186 173.451 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.552 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.0 tttt -119.38 102.39 8.64 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.199 1.475 . . . . 0.0 112.219 -173.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.814 ' HD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -44.8 130.38 7.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.998 1.38 . . . . 0.0 111.875 176.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.874 HD11 ' CD1' ' A' ' 60' ' ' TYR . 17.4 pt -127.3 -43.07 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 122.367 1.079 . . . . 0.0 110.828 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.864 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . . . -139.65 127.24 21.7 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.311 175.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.805 ' HB3' ' HD3' ' A' ' 43' ' ' LYS . 4.3 tt0 -160.03 147.6 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.415 1.579 . . . . 0.0 113.218 -173.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.8 ' CD1' HG23 ' A' ' 53' ' ' THR . 1.9 m-30 -124.85 122.04 36.27 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 172.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.639 ' HG2' ' HG2' ' A' ' 46' ' ' GLN . 4.7 ptm180 -158.07 113.22 2.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.812 0.815 . . . . 0.0 111.104 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.8 145.14 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.765 0.793 . . . . 0.0 110.61 -173.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.26 32.43 0.94 Allowed 'General case' 0 C--O 1.248 0.986 0 O-C-N 121.743 -0.598 . . . . 0.0 111.915 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -106.28 -7.84 17.59 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -176.77 135.82 0.23 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.944 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.8 HG23 ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -117.07 158.17 24.63 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.779 0.8 . . . . 0.0 110.926 178.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.814 ' CD2' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -121.03 97.42 5.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.94 0.876 . . . . 0.0 111.145 177.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -162.86 56.25 0.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.195 0.998 . . . . 0.0 110.652 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.79 -31.29 62.49 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.545 -173.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.797 ' HB3' HG23 ' A' ' 59' ' ' THR . 0.2 OUTLIER -151.55 157.28 42.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.064 0.935 . . . . 0.0 111.176 -174.257 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.51 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 4.7 m-20 -72.6 -4.76 32.76 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 176.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.797 HG23 ' HB3' ' A' ' 57' ' ' LYS . 10.3 t -60.68 -25.83 66.66 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.089 -1.007 . . . . 0.0 110.783 174.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.874 ' CD1' HD11 ' A' ' 44' ' ' ILE . 49.6 m-85 -150.07 80.77 1.37 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.634 0.731 . . . . 0.0 110.55 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -107.28 169.45 8.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.388 1.089 . . . . 0.0 112.74 -172.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.864 ' CD2' ' HB3' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -111.65 163.32 14.24 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 174.007 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.681 ' CD2' HG23 ' A' ' 67' ' ' THR . 13.3 m-30 -125.59 169.87 12.04 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 121.36 -0.837 . . . . 0.0 111.03 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -63.5 -28.81 70.21 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.379 -0.826 . . . . 0.0 111.612 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -96.84 11.54 35.41 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 121.405 -0.809 . . . . 0.0 112.341 -173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' HA3' HG23 ' A' ' 21' ' ' ILE . . . 88.37 6.95 73.43 Favored Glycine 0 C--O 1.253 1.322 0 O-C-N 120.799 -1.188 . . . . 0.0 112.891 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.681 HG23 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -88.03 149.18 24.14 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 119.049 1.424 . . . . 0.0 111.218 177.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.523 HD22 HG13 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -109.2 148.85 30.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 110.509 172.331 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -114.45 134.07 55.27 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.554 174.342 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.537 ' CD1' HD22 ' A' ' 19' ' ' LEU . 1.8 mt -121.06 107.31 20.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.081 0.943 . . . . 0.0 110.606 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -82.42 142.46 31.93 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.407 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t60 61.25 110.23 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 123.279 1.514 . . . . 0.0 110.691 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 1.0 HD23 ' CD1' ' A' ' 100' ' ' LEU . 2.4 tm? -136.31 69.64 1.42 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.062 0.934 . . . . 0.0 112.711 -170.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.645 ' CE ' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -94.34 -171.66 2.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.153 0.978 . . . . 0.0 110.473 170.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.1 m -51.68 -26.87 10.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.28 1.038 . . . . 0.0 111.602 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.645 ' HB3' ' CE ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -76.26 -40.28 52.27 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.632 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.01 14.34 14.22 Favored 'General case' 0 C--O 1.253 1.24 0 O-C-N 121.31 -0.869 . . . . 0.0 112.129 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.843 ' HA ' HD11 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.38 126.31 34.79 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 120.822 -1.174 . . . . 0.0 111.245 173.462 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.71 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -157.6 160.53 38.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.841 -176.494 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.505 HG21 HG22 ' A' ' 38' ' ' THR . 22.8 mt -86.07 148.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.379 0.609 . . . . 0.0 110.063 173.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.692 ' HE1' ' HB3' ' A' ' 100' ' ' LEU . 96.8 m-85 -140.83 156.01 46.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.847 0.832 . . . . 0.0 111.349 -170.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.817 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 6.2 tttt -146.61 132.55 19.14 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.918 0.866 . . . . 0.0 110.666 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.574 HG13 ' CE2' ' A' ' 98' ' ' PHE . 4.6 p -104.1 119.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.16 0.981 . . . . 0.0 110.967 -173.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.507 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -124.23 109.89 13.97 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.868 0.842 . . . . 0.0 110.324 178.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.879 ' CG2' HG22 ' A' ' 33' ' ' ILE . 1.5 mt -120.33 118.62 57.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.341 0 O-C-N 121.925 -0.485 . . . . 0.0 110.129 -172.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.701 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 2.6 m-85 -114.88 168.81 9.58 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 120.512 -1.367 . . . . 0.0 112.524 -168.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.767 ' HB3' HD12 ' A' ' 30' ' ' ILE . 10.6 p30 -94.16 -174.61 3.43 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.192 0.996 . . . . 0.0 110.99 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.81 HG21 ' O ' ' A' ' 29' ' ' ASP . 74.8 p -57.87 -26.2 61.77 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 121.431 -0.793 . . . . 0.0 112.149 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -98.23 30.7 3.03 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.034 -1.041 . . . . 0.0 112.121 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.7 49.37 Favored Glycine 0 C--O 1.248 0.981 0 O-C-N 121.241 -0.912 . . . . 0.0 111.999 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 1.1 mtpt -90.33 126.87 36.01 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.16 -1.2 . . . . 0.0 111.48 -173.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.701 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 1.4 t30 -67.5 92.82 0.32 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.111 0.958 . . . . 0.0 110.839 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.748 HG22 HD11 ' A' ' 30' ' ' ILE . 15.1 m -78.18 -27.95 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.368 1.08 . . . . 0.0 112.352 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.624 HD11 ' H ' ' A' ' 95' ' ' GLU . 28.3 tp -151.94 151.53 31.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.232 1.015 . . . . 0.0 110.999 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.624 ' H ' HD11 ' A' ' 94' ' ' LEU . 4.5 tm-20 -154.58 158.68 40.14 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.708 -174.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.817 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -166.48 160.35 15.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.044 0.926 . . . . 0.0 111.393 -178.665 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.81 134.83 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.933 0.873 . . . . 0.0 110.808 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.762 ' HD2' ' CZ3' ' A' ' 35' ' ' TRP . 21.7 m-30 -135.63 160.86 37.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.814 -172.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.828 ' O ' HG21 ' A' ' 9' ' ' THR . 4.5 m-20 -146.28 86.55 1.7 Allowed 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.318 -0.864 . . . . 0.0 111.878 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 1.0 ' CD1' HD23 ' A' ' 73' ' ' LEU . 1.5 tm? -61.17 108.19 0.86 Allowed 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.529 0.68 . . . . 0.0 110.793 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.667 ' HG3' ' O ' ' A' ' 99' ' ' ASP . 1.8 mtpm? -104.68 172.07 6.99 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 123.356 1.551 . . . . 0.0 112.12 -174.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.893 ' CD1' HD12 ' A' ' 73' ' ' LEU . 1.2 mm -128.83 151.51 35.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.019 171.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -141.64 147.07 36.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.937 0.875 . . . . 0.0 111.229 -172.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -146.36 52.98 1.12 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 124.758 2.218 . . . . 0.0 110.282 -176.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 . . . . . 0 C--O 1.269 2.118 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.193 175.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . 0.419 ' O7 ' ' C3 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . 0.478 ' H4 ' ' C5 ' ' A' ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . 0.478 ' C5 ' ' H4 ' ' A' ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 121.969 0.89 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -111.03 151.6 27.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.944 0.878 . . . . 0.0 110.978 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 mt -108.07 148.26 12.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.901 0.858 . . . . 0.0 110.981 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 p -132.33 153.26 50.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.006 0.908 . . . . 0.0 110.952 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.32 48.6 0.9 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.955 0.883 . . . . 0.0 111.065 -175.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.97 169.9 16.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.062 0.934 . . . . 0.0 110.985 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 14.9 mt -125.46 112.96 16.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.31 1.052 . . . . 0.0 110.994 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.97 102.0 0.32 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.846 0.831 . . . . 0.0 111.019 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 1.054 HG22 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.91 122.29 45.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.516 0.674 . . . . 0.0 110.523 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.532 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 86.2 m95 -118.82 157.72 27.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.924 0.869 . . . . 0.0 112.174 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.2 -171.07 25.62 Favored Glycine 0 C--O 1.24 0.491 0 CA-C-O 122.299 0.944 . . . . 0.0 111.741 173.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.861 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -135.91 153.34 51.48 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 121.732 -0.864 . . . . 0.0 110.712 173.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.677 ' CD1' HG23 ' A' ' 102' ' ' ILE . 5.8 mp -62.1 135.72 57.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.124 1.44 . . . . 0.0 112.676 -171.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.19 43.23 Favored Glycine 0 C--O 1.238 0.364 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.861 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 15.1 tt0 -138.21 146.02 42.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.622 1.201 . . . . 0.0 112.088 -171.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -97.39 135.74 38.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.677 -175.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 HD11 HG23 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -128.48 157.53 40.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.991 0.9 . . . . 0.0 111.336 -172.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.444 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -110.44 146.42 35.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.92 1.343 . . . . 0.0 111.703 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.054 ' CD1' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -100.1 96.96 7.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.434 172.598 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.93 117.96 31.62 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 123.609 1.671 . . . . 0.0 111.692 -169.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.905 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.84 154.05 92.9 Favored Pre-proline 0 C--O 1.239 0.541 0 CA-C-O 122.483 1.135 . . . . 0.0 112.123 177.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.905 ' HD2' HG12 ' A' ' 21' ' ' ILE . 13.8 Cg_exo -43.39 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.375 1 C-N-CA 127.699 5.6 . . . . 0.0 116.807 174.384 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.07 29.22 0.84 Allowed 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.896 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.551 ' HD2' HD12 ' A' ' 94' ' ' LEU . 2.4 t80 -116.27 123.43 47.69 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.625 -0.672 . . . . 0.0 110.083 171.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -135.32 144.37 46.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.42 1.105 . . . . 0.0 111.773 -172.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 1.051 ' HE3' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -86.51 166.34 15.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.998 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -124.77 -113.9 0.29 Allowed 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.325 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -90.11 23.34 2.87 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.855 -1.153 . . . . 0.0 111.861 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -108.13 -78.4 0.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.942 1.354 . . . . 0.0 110.939 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.763 HG22 ' O ' ' A' ' 86' ' ' TYR . 1.3 mp -49.08 144.01 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.705 -174.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.5 -31.7 3.22 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.381 -173.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' O ' HG21 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -110.83 142.95 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.098 . . . . 0.0 111.224 -172.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.924 ' HA ' HG22 ' A' ' 85' ' ' ILE . 29.3 mt -139.78 104.1 1.88 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.882 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.022 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -110.83 153.77 24.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.236 1.493 . . . . 0.0 112.244 -173.01 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.965 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 49.7 m95 -155.24 131.4 10.21 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.423 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.791 ' C ' HD11 ' A' ' 44' ' ' ILE . 16.8 tt0 -124.5 170.71 10.62 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 111.088 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 1.008 ' HB3' HD13 ' A' ' 44' ' ' ILE . 14.3 ptmt -105.38 85.09 2.19 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.51 ' OG1' HG21 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -38.4 -37.21 0.28 Allowed 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.069 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 t -49.58 -68.4 0.18 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.991 -1.068 . . . . 0.0 111.412 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -92.79 3.49 55.55 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.659 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 7.8 ttmt 54.26 62.11 2.73 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.627 -1.295 . . . . 0.0 110.405 -177.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.733 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -129.83 121.53 26.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 123.545 1.64 . . . . 0.0 113.879 -172.468 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -42.62 97.29 0.01 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.919 1.342 . . . . 0.0 111.547 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.008 HD13 ' HB3' ' A' ' 37' ' ' LYS . 5.1 mt -82.62 -41.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 123.053 1.406 . . . . 0.0 110.899 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.759 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -171.27 134.38 0.9 Allowed 'General case' 0 C--O 1.253 1.248 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.358 -172.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.504 ' HG3' ' HG3' ' A' ' 34' ' ' LYS . 7.3 tt0 -159.77 142.49 13.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.742 1.258 . . . . 0.0 112.29 -173.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 114.33 17.92 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.709 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.78 101.59 3.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.858 0.837 . . . . 0.0 111.116 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.46 147.38 0.06 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.071 0.939 . . . . 0.0 110.724 -176.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.2 34.43 0.87 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.783 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -112.87 -7.39 13.76 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 172.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER 171.72 129.34 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.723 178.176 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 p -147.5 174.28 11.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.046 0.927 . . . . 0.0 111.079 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -123.13 109.66 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.874 0.845 . . . . 0.0 111.016 -177.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.68 40.87 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.647 0.737 . . . . 0.0 110.919 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.84 24.4 2.06 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.782 -0.574 . . . . 0.0 112.345 -172.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.24 151.72 5.8 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 120.933 -1.105 . . . . 0.0 111.591 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.39 -15.67 39.66 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 174.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.0 m -50.6 -20.68 1.26 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.951 -0.468 . . . . 0.0 110.204 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.901 ' HD1' ' CG2' ' A' ' 70' ' ' ILE . 40.7 m-85 -150.5 85.22 1.37 Allowed 'General case' 0 C--O 1.245 0.822 0 CA-C-O 121.262 0.553 . . . . 0.0 109.787 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -93.17 168.74 10.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.277 1.037 . . . . 0.0 113.408 -170.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 1.008 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -122.3 143.75 49.42 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.812 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.62 ' HE2' ' HB2' ' A' ' 69' ' ' LYS . 96.8 m-85 -125.37 154.82 41.28 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.356 -0.84 . . . . 0.0 110.817 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -13.35 62.32 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 121.622 -0.674 . . . . 0.0 111.839 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -96.73 26.72 4.33 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.057 -1.027 . . . . 0.0 111.96 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.542 ' HA3' HG23 ' A' ' 21' ' ' ILE . . . 77.07 7.02 86.63 Favored Glycine 0 C--O 1.254 1.395 0 O-C-N 121.091 -1.006 . . . . 0.0 113.267 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.46 HG23 ' CD2' ' A' ' 63' ' ' PHE . 3.3 m -88.76 161.53 16.73 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-N 119.133 1.466 . . . . 0.0 111.057 -176.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 1.008 HD11 ' CD1' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -138.23 114.67 10.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.5 1.143 . . . . 0.0 112.076 173.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.62 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 2.5 tttm -96.83 102.98 14.86 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.279 -0.888 . . . . 0.0 111.354 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 1.077 HD13 HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -108.72 115.17 48.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 123.641 1.686 . . . . 0.0 110.654 -171.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -76.32 148.97 37.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.008 -171.217 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.8 t60 61.06 105.9 0.02 OUTLIER 'General case' 0 C--O 1.242 0.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.016 173.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.901 ' CD1' HD22 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -145.41 101.05 3.54 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -174.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.48 -171.21 1.79 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 126.818 2.047 . . . . 0.0 110.286 166.229 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.442 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.9 m -46.6 -29.95 2.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.345 1.069 . . . . 0.0 112.409 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -86.74 -33.12 20.08 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.149 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.772 ' O ' HD11 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -99.55 23.03 9.98 Favored 'General case' 0 C--O 1.249 1.046 0 O-C-N 121.978 -0.451 . . . . 0.0 111.607 173.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.515 ' HB2' HD13 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -104.65 125.8 51.11 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.086 -1.009 . . . . 0.0 110.713 172.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.617 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -145.46 172.08 13.72 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.229 1.014 . . . . 0.0 111.59 -173.345 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.51 HG21 ' OG1' ' A' ' 38' ' ' THR . 4.1 mt -91.84 148.6 4.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.201 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.874 ' CD2' HD12 ' A' ' 44' ' ' ILE . 17.0 m-85 -143.92 163.22 34.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.898 0.856 . . . . 0.0 111.08 -171.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 8.5 ttpp -154.52 143.95 21.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.844 0.83 . . . . 0.0 110.663 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.975 HG13 ' HE1' ' A' ' 98' ' ' PHE . 7.3 p -114.95 123.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.279 1.037 . . . . 0.0 111.29 -173.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.434 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 85.5 p -125.55 103.72 8.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.83 0.824 . . . . 0.0 110.572 174.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 1.051 HG23 ' HE3' ' A' ' 26' ' ' MET . 0.7 OUTLIER -112.66 116.25 52.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -173.283 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.763 ' O ' HG22 ' A' ' 30' ' ' ILE . 10.9 m-30 -107.05 164.11 12.42 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.588 1.185 . . . . 0.0 112.675 -169.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.845 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 15.6 p-10 -96.5 -173.89 2.89 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.738 1.256 . . . . 0.0 111.116 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.9 p -64.35 -30.28 71.33 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.868 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -83.24 8.61 12.82 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.213 -0.929 . . . . 0.0 112.394 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.25 19.47 79.81 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.797 -1.189 . . . . 0.0 112.54 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.845 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 2.7 mtpt -90.43 151.39 21.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.061 -1.258 . . . . 0.0 111.395 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.525 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 m120 -89.05 93.43 9.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.957 0.884 . . . . 0.0 110.707 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.699 HG12 ' HB3' ' A' ' 87' ' ' ASP . 2.6 m -80.19 -20.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 ' HD2' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -162.53 145.49 11.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.155 0.979 . . . . 0.0 111.247 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -148.06 141.87 25.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.857 0.837 . . . . 0.0 110.91 -178.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.662 ' HD3' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -153.38 159.82 42.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.898 0.856 . . . . 0.0 111.031 -174.006 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.06 137.81 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.877 0.846 . . . . 0.0 110.869 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.975 ' HE1' HG13 ' A' ' 83' ' ' VAL . 19.8 m-85 -131.56 170.27 14.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.755 0.788 . . . . 0.0 111.142 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -158.8 100.49 1.6 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.217 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 1.077 HD23 HD13 ' A' ' 70' ' ' ILE . 2.5 mp -54.43 145.88 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.377 -0.827 . . . . 0.0 110.746 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.43 163.97 29.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.464 1.126 . . . . 0.0 111.55 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.677 HG23 ' CD1' ' A' ' 13' ' ' LEU . 28.7 mm -115.43 144.22 23.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.84 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.532 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 7.7 tp60 -136.55 145.25 44.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.018 0.913 . . . . 0.0 111.453 -171.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -176.12 93.24 0.05 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.92 1.343 . . . . 0.0 110.976 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.27 2.157 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.868 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . 0.475 ' H62' ' C7 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . 0.475 ' C7 ' ' H62' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 121.992 0.901 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.78 170.65 16.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.942 0.877 . . . . 0.0 111.014 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.73 110.89 28.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.974 0.892 . . . . 0.0 110.958 177.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.8 p -150.41 150.29 31.17 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.562 0.696 . . . . 0.0 110.859 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.891 ' HB3' HD11 ' A' ' 97' ' ' ILE . 1.2 m120 -159.02 53.59 0.4 Allowed 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.58 0.705 . . . . 0.0 111.634 -178.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.514 ' HB3' ' OD1' ' A' ' 99' ' ' ASP . . . 179.95 175.31 0.81 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.071 1.415 . . . . 0.0 111.77 173.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.089 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 5.7 mt -140.52 119.75 12.93 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.694 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 91.11 0.08 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.972 0.891 . . . . 0.0 110.881 -176.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.442 ' HB ' HD21 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -114.7 135.89 53.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.527 0.68 . . . . 0.0 110.596 -174.129 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 93.0 m95 -140.64 159.3 42.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.976 0.893 . . . . 0.0 111.508 -172.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.41 170.31 36.38 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.837 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -100.16 158.46 15.84 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 121.957 -0.731 . . . . 0.0 110.458 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.044 HD11 HG23 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -68.88 132.13 46.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.802 1.286 . . . . 0.0 110.973 -173.316 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.07 35.3 34.97 Favored Glycine 0 C--O 1.249 1.083 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.016 -176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.837 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -128.91 152.03 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.239 -1.154 . . . . 0.0 110.842 -172.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.512 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -101.46 135.35 43.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.388 1.09 . . . . 0.0 110.636 176.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.509 HG23 HD23 ' A' ' 100' ' ' LEU . 8.2 tp -140.82 157.56 23.35 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.798 ' O ' HD11 ' A' ' 19' ' ' LEU . 32.5 m120 -108.03 171.86 7.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.222 1.487 . . . . 0.0 111.949 -173.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.133 HD22 ' CZ3' ' A' ' 35' ' ' TRP . 6.5 mp -127.02 117.12 21.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.302 1.048 . . . . 0.0 110.1 175.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.8 114.3 21.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.815 0.817 . . . . 0.0 109.67 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 1.027 ' HB ' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -96.24 -76.82 0.03 OUTLIER Pre-proline 0 C--O 1.259 1.56 0 N-CA-C 114.195 1.184 . . . . 0.0 114.195 -169.167 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.953 ' HD3' HG22 ' A' ' 21' ' ' ILE . 11.2 Cg_endo -87.43 157.82 8.01 Favored 'Trans proline' 0 N--CA 1.533 3.822 1 C-N-CA 126.762 4.975 . . . . 0.0 117.242 -172.427 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -92.15 23.92 3.57 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -115.39 155.53 27.22 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.412 -0.805 . . . . 0.0 110.62 -172.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.69 91.99 3.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.272 1.034 . . . . 0.0 110.838 176.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.561 ' HE1' ' O ' ' A' ' 64' ' ' LYS . 7.3 ptt? -60.39 171.74 1.01 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.919 0.866 . . . . 0.0 111.269 -173.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 t -146.18 -123.48 0.07 Allowed 'General case' 0 C--O 1.253 1.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.523 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.7 32.43 0.98 Allowed 'General case' 0 C--O 1.26 1.617 0 O-C-N 120.698 -1.251 . . . . 0.0 112.319 -171.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -115.36 -39.64 3.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.336 -1.478 . . . . 0.0 113.185 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.443 HG13 ' HB2' ' A' ' 26' ' ' MET . 0.2 OUTLIER -87.59 140.79 15.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.273 -173.031 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.47 -30.69 4.49 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.971 -173.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' HG21 ' A' ' 85' ' ' ILE . 4.7 m-20 -126.16 155.42 41.76 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.361 1.077 . . . . 0.0 111.213 -173.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.912 HG22 HG22 ' A' ' 85' ' ' ILE . 2.2 mt -137.29 160.92 35.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.801 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.67 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -156.24 147.72 22.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 123.248 1.499 . . . . 0.0 112.125 173.834 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 1.133 ' CZ3' HD22 ' A' ' 19' ' ' LEU . 30.0 m95 -139.85 112.22 7.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.132 173.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -94.62 153.42 17.85 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.471 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.63 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 17.4 tttt -98.37 86.78 3.7 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.789 -0.569 . . . . 0.0 110.073 -176.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.6 ' OG1' HG21 ' A' ' 80' ' ' ILE . 23.5 p -66.45 95.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 123.904 1.811 . . . . 0.0 110.861 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 p 179.22 -57.11 0.01 OUTLIER 'General case' 0 C--O 1.237 0.441 0 CA-C-O 123.747 1.737 . . . . 0.0 109.96 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -6.52 19.45 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.269 169.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 60.78 69.72 0.66 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.603 1.192 . . . . 0.0 111.308 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.58 154.37 5.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 124.054 1.883 . . . . 0.0 112.1 172.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HB2' ' HE2' ' A' ' 54' ' ' PHE . 8.6 mttt -44.69 146.58 0.73 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-O 123.552 1.644 . . . . 0.0 112.949 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.63 ' CG2' ' HB2' ' A' ' 37' ' ' LYS . 12.7 pt -135.32 -42.93 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.38 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.746 ' CB ' HD23 ' A' ' 62' ' ' LEU . . . -132.17 139.76 48.49 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.541 173.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.67 ' HG3' ' CG ' ' A' ' 34' ' ' LYS . 12.3 tt0 -165.6 150.37 8.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 123.029 1.395 . . . . 0.0 112.407 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HD1' HD11 ' A' ' 62' ' ' LEU . 3.8 m-85 -126.85 129.56 48.5 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.562 173.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -147.95 102.68 3.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.421 -0.799 . . . . 0.0 111.081 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.1 mttm 63.5 152.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.613 1.673 . . . . 0.0 110.511 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -87.54 37.65 0.79 Allowed 'General case' 0 C--O 1.25 1.097 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.287 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.89 -7.86 13.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.664 1.221 . . . . 0.0 113.959 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.58 149.58 1.28 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.923 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 p -125.54 160.21 30.12 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.353 0.597 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.621 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 1.7 t80 -121.97 87.25 2.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.954 0.883 . . . . 0.0 111.69 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 107.33 0.82 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.245 1.498 . . . . 0.0 110.086 172.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.19 -31.91 62.85 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 121.262 -0.898 . . . . 0.0 111.292 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.863 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -159.83 164.67 33.46 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.33 0.586 . . . . 0.0 110.755 -177.114 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.533 ' HA ' ' HB3' ' A' ' 61' ' ' LYS . 2.8 m-20 -72.96 -6.93 48.61 Favored 'General case' 0 C--O 1.255 1.348 0 O-C-N 121.613 -0.68 . . . . 0.0 112.491 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.863 HG23 ' HG3' ' A' ' 57' ' ' LYS . 9.2 t -55.43 -26.78 43.88 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.365 -0.834 . . . . 0.0 110.315 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.742 ' CE1' HG22 ' A' ' 70' ' ' ILE . 5.0 m-85 -148.61 86.15 1.52 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.619 0.723 . . . . 0.0 111.058 173.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 58' ' ' ASP . 2.9 ptmt -129.2 167.55 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.305 1.05 . . . . 0.0 112.212 -176.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.893 HD22 HD11 ' A' ' 68' ' ' LEU . 4.7 mt -104.39 175.25 5.55 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.672 0.789 . . . . 0.0 111.064 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.68 ' CD2' HG23 ' A' ' 67' ' ' THR . 65.6 m-85 -130.64 174.98 9.4 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.913 -1.117 . . . . 0.0 111.391 174.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.561 ' O ' ' HE1' ' A' ' 26' ' ' MET . 0.1 OUTLIER -68.89 -23.17 64.17 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.693 -0.629 . . . . 0.0 111.75 177.752 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -102.12 20.58 16.4 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.175 -0.953 . . . . 0.0 112.019 -175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -7.15 82.3 Favored Glycine 0 C--O 1.253 1.338 0 O-C-N 120.919 -1.113 . . . . 0.0 113.273 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.68 HG23 ' CD2' ' A' ' 63' ' ' PHE . 5.1 m -83.47 153.59 24.37 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.708 -1.466 . . . . 0.0 111.366 -173.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.945 HD22 HD21 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -118.79 132.56 56.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.853 0.835 . . . . 0.0 110.658 172.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 ttpt -100.79 134.84 43.17 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.456 0.646 . . . . 0.0 110.834 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.742 HG22 ' CE1' ' A' ' 60' ' ' TYR . 2.0 mt -119.06 108.58 24.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.884 0.849 . . . . 0.0 110.864 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.1 mtpt -86.46 143.35 27.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.747 0.784 . . . . 0.0 111.121 -176.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 60.68 104.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 123.079 1.419 . . . . 0.0 111.159 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.682 HD23 ' CD1' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -138.98 83.4 1.95 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.221 1.01 . . . . 0.0 112.21 -173.039 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -97.26 -163.59 1.06 Allowed 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.274 170.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 m -57.6 -28.1 63.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.217 1.008 . . . . 0.0 112.349 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -41.73 14.05 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.552 ' O ' HD21 ' A' ' 73' ' ' LEU . 1.3 m-20 -79.89 -0.28 34.22 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.477 -0.765 . . . . 0.0 112.052 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -83.19 129.14 34.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 120.799 -1.188 . . . . 0.0 110.728 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 68.0 m-20 -149.9 178.74 8.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.438 1.113 . . . . 0.0 111.21 -173.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.6 HG21 ' OG1' ' A' ' 38' ' ' THR . 5.1 mt -103.02 145.91 11.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.547 172.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.605 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -139.07 172.91 12.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.759 1.266 . . . . 0.0 111.44 -171.325 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -156.47 151.1 25.76 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.616 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 1.027 HG12 ' HB ' ' A' ' 21' ' ' ILE . 6.9 p -124.28 120.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 122.124 0.964 . . . . 0.0 110.879 -174.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 p -129.54 113.78 15.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.706 0.765 . . . . 0.0 110.407 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.912 HG22 HG22 ' A' ' 33' ' ' ILE . 1.6 mt -123.82 126.15 72.22 Favored 'Isoleucine or valine' 0 C--O 1.257 1.493 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.932 -173.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -121.24 163.26 18.83 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.472 -1.392 . . . . 0.0 112.468 -168.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.479 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.3 p30 -87.68 -173.54 4.37 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 122.294 1.045 . . . . 0.0 110.995 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -26.74 46.36 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.288 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -96.29 24.36 5.82 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.962 -1.086 . . . . 0.0 112.661 -172.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.31 52.96 Favored Glycine 0 C--O 1.248 1.021 0 O-C-N 121.085 -1.009 . . . . 0.0 112.149 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' O ' HG11 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.53 121.1 32.18 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.119 -1.224 . . . . 0.0 111.511 -174.079 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.522 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 34.6 t-20 -63.3 91.12 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.038 0.923 . . . . 0.0 110.482 173.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.513 HG11 ' O ' ' A' ' 91' ' ' LYS . 3.8 m -80.26 -22.45 11.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.879 0.847 . . . . 0.0 112.754 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.94 HD23 ' HB3' ' A' ' 22' ' ' PRO . 2.5 tp -165.17 141.44 5.57 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.155 0.979 . . . . 0.0 110.702 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.052 0.93 . . . . 0.0 111.071 -172.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HB2' HG13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -179.11 168.24 1.56 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.494 0.664 . . . . 0.0 110.835 173.575 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.891 HD11 ' HB3' ' A' ' 5' ' ' ASN . 7.2 mt -121.02 151.86 24.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 CA-C-O 121.628 0.728 . . . . 0.0 111.058 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.089 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 11.7 m-85 -135.68 166.27 23.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.821 0.819 . . . . 0.0 111.762 -174.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' A' ' 6' ' ' ALA . 2.9 m-20 -149.61 87.32 1.5 Allowed 'General case' 0 C--O 1.247 0.966 0 O-C-N 121.908 -0.495 . . . . 0.0 110.933 173.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.682 ' CD1' HD23 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -63.8 130.51 44.45 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.371 -0.83 . . . . 0.0 110.799 -177.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.538 ' N ' HD12 ' A' ' 100' ' ' LEU . 7.9 mttt -128.95 169.73 14.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.079 1.419 . . . . 0.0 112.137 -173.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 1.044 HG23 HD11 ' A' ' 13' ' ' LEU . 1.5 mm -122.11 150.18 25.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.759 170.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.523 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 10.7 tt0 -145.07 142.06 29.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.025 0.917 . . . . 0.0 111.045 -172.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.97 86.21 0.54 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.673 1.225 . . . . 0.0 110.745 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.149 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.986 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . 0.462 ' H61' ' C8 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . 0.462 ' C8 ' ' H61' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.99 0.9 . . . . 0.0 110.96 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.4 133.68 49.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.788 0.804 . . . . 0.0 110.982 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.425 HD12 ' HG3' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -110.68 101.53 12.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.266 1.031 . . . . 0.0 111.039 178.394 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 p -112.31 176.09 5.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.379 1.085 . . . . 0.0 110.766 173.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.567 HD21 HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -135.24 43.56 2.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.918 1.342 . . . . 0.0 110.77 175.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.71 172.08 19.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 123.381 1.562 . . . . 0.0 112.765 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.09 HD22 ' CD2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -117.93 111.37 18.9 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.773 -176.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.25 93.97 5.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.318 1.056 . . . . 0.0 110.654 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.878 HG23 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -101.21 148.8 24.68 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.447 -173.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -139.43 152.52 47.11 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.71 -0.619 . . . . 0.0 111.016 -173.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.42 -176.49 32.57 Favored Glycine 0 C--O 1.239 0.462 0 CA-C-O 122.805 1.225 . . . . 0.0 112.243 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.472 ' C ' HD12 ' A' ' 102' ' ' ILE . . . -110.88 163.3 13.94 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.676 -0.897 . . . . 0.0 110.57 172.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.922 ' CD1' HG23 ' A' ' 102' ' ' ILE . 6.5 mp -77.31 136.96 38.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.928 1.347 . . . . 0.0 111.962 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.93 43.29 Favored Glycine 0 C--O 1.245 0.79 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.544 -175.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.902 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -135.86 129.28 32.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.334 1.064 . . . . 0.0 110.943 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -78.72 134.73 37.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.261 1.029 . . . . 0.0 110.798 -172.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.457 ' CG2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -131.02 144.41 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.045 0.926 . . . . 0.0 111.599 -172.235 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.846 ' O ' HD21 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -97.19 -174.23 2.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.696 1.236 . . . . 0.0 111.587 -173.596 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.146 HD11 ' HD2' ' A' ' 98' ' ' PHE . 1.2 mm? -151.53 78.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.706 -173.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.29 101.87 14.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.604 1.193 . . . . 0.0 110.308 -176.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 1.002 ' HB ' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -77.28 -80.71 0.04 OUTLIER Pre-proline 0 C--O 1.259 1.554 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.92 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.999 ' CD ' HG22 ' A' ' 21' ' ' ILE . 10.9 Cg_endo -90.74 161.01 4.18 Favored 'Trans proline' 0 N--CA 1.531 3.687 1 C-N-CA 126.979 5.119 . . . . 0.0 116.721 -172.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -92.07 23.75 3.61 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.712 169.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -94.16 176.21 6.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.335 1.064 . . . . 0.0 111.379 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -140.49 81.89 1.83 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.038 0.923 . . . . 0.0 110.84 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.421 ' HE2' ' O ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -54.26 156.62 3.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.0 0.905 . . . . 0.0 111.151 -173.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 t -141.65 -121.63 0.1 Allowed 'General case' 0 C--O 1.254 1.293 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.253 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -21.52 24.45 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 120.747 -1.221 . . . . 0.0 111.989 -173.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.488 ' O ' HG21 ' A' ' 88' ' ' THR . 3.7 m-20 -80.64 -26.9 37.41 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.0 -1.062 . . . . 0.0 113.184 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.778 HD13 HG22 ' A' ' 93' ' ' VAL . 3.0 mm -88.56 136.99 22.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.982 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.855 -174.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -133.28 -40.77 0.9 Allowed 'General case' 0 C--O 1.258 1.508 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.715 ' C ' HD11 ' A' ' 33' ' ' ILE . 72.2 m-20 -107.71 138.2 44.37 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 120.481 -1.387 . . . . 0.0 112.35 -171.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.862 ' HA ' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -120.19 158.63 22.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.027 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 172.746 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -155.15 146.06 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.316 1.532 . . . . 0.0 112.253 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.902 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 54.4 m95 -146.47 126.2 13.45 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.342 173.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -129.88 165.66 21.58 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.549 -0.72 . . . . 0.0 110.968 -173.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -88.34 99.67 12.42 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.467 -0.771 . . . . 0.0 109.548 172.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 1.017 HG22 HG21 ' A' ' 80' ' ' ILE . 1.2 p -35.61 -50.75 0.62 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -62.68 -73.87 0.1 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.616 0.722 . . . . 0.0 112.077 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.76 18.89 4.35 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -172.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.592 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 51.3 63.37 2.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.165 1.46 . . . . 0.0 110.121 172.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 44' ' ' ILE . 4.8 ttmt -118.54 88.87 3.01 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 123.061 1.41 . . . . 0.0 111.813 -172.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.561 ' HB2' ' CD ' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -45.27 102.22 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 173.568 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -93.16 -39.5 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 122.181 0.991 . . . . 0.0 110.962 179.054 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.741 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . . . -144.73 132.85 21.56 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.729 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.561 ' CD ' ' HB2' ' A' ' 43' ' ' LYS . 2.6 mt-30 -158.3 151.92 23.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.886 1.327 . . . . 0.0 112.217 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CD1' HG23 ' A' ' 53' ' ' THR . 1.2 m-30 -130.38 108.13 9.76 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.681 173.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -129.96 101.67 5.95 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.609 -0.682 . . . . 0.0 111.121 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.41 153.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.563 1.649 . . . . 0.0 110.47 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.61 40.02 0.87 Allowed 'General case' 0 C--O 1.25 1.093 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.347 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -116.45 -6.99 11.72 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.496 1.141 . . . . 0.0 114.028 172.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 6.6 tt0 176.99 119.43 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.989 -176.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.528 HG23 ' CD1' ' A' ' 47' ' ' PHE . 3.3 p -108.72 174.39 5.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.725 0.774 . . . . 0.0 111.001 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.426 ' HE2' ' O ' ' A' ' 43' ' ' LYS . 3.7 t80 -135.95 99.78 4.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.962 0.887 . . . . 0.0 111.38 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -155.39 68.83 0.68 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.072 0.939 . . . . 0.0 110.484 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -3.62 31.05 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.518 -172.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.646 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -156.77 146.07 20.44 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 120.822 -1.174 . . . . 0.0 111.34 177.305 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -68.07 -24.74 65.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.481 0.658 . . . . 0.0 112.707 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.646 HG23 ' HB2' ' A' ' 57' ' ' LYS . 9.1 t -49.85 -22.77 1.58 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.705 0.764 . . . . 0.0 110.745 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.692 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 2.5 m-30 -147.91 78.08 1.43 Allowed 'General case' 0 C--O 1.244 0.763 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 172.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' O ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -104.77 152.64 22.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.885 0.85 . . . . 0.0 111.875 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.741 ' CD2' ' HB3' ' A' ' 45' ' ' ALA . 4.4 mt -92.93 -177.09 4.4 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.784 0.802 . . . . 0.0 111.119 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 2.6 m-85 -144.2 167.33 22.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.915 0.864 . . . . 0.0 110.804 173.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' O ' ' HE2' ' A' ' 26' ' ' MET . 22.0 mttm -68.47 -31.56 70.94 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.654 0.74 . . . . 0.0 111.271 -177.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -89.55 11.26 20.08 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.679 -0.638 . . . . 0.0 112.247 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.58 63.87 Favored Glycine 0 C--O 1.252 1.231 0 O-C-N 120.791 -1.193 . . . . 0.0 113.18 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.716 HG23 ' CD1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -89.97 157.68 17.73 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 119.433 1.617 . . . . 0.0 111.201 -176.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.2 tp -126.42 152.39 46.43 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 121.581 -0.7 . . . . 0.0 110.415 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.725 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -132.04 157.63 43.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.945 0.879 . . . . 0.0 111.024 176.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.891 HG21 HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -134.86 113.75 16.65 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 110.886 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 21.4 tttm -85.31 137.61 32.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.615 0.721 . . . . 0.0 111.887 -173.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.65 ' O ' HD21 ' A' ' 73' ' ' LEU . 18.7 t60 59.91 97.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.475 1.607 . . . . 0.0 110.316 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.902 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 1.9 mm? -130.97 83.75 2.14 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -168.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.11 -175.48 4.82 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 120.856 -1.153 . . . . 0.0 110.459 167.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.1 m -61.29 -25.72 67.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.281 1.039 . . . . 0.0 112.179 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -37.0 51.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.053 0.93 . . . . 0.0 110.892 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.55 ' HB2' ' HA ' ' A' ' 73' ' ' LEU . 5.1 m-20 -74.19 -1.34 19.99 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.654 173.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.86 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -82.4 129.73 34.95 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 120.76 -1.212 . . . . 0.0 111.086 172.68 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.94 170.79 16.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.316 1.055 . . . . 0.0 111.337 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 1.017 HG21 HG22 ' A' ' 38' ' ' THR . 0.9 OUTLIER -90.18 139.14 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.601 173.535 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.999 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 25.5 m-85 -134.04 161.52 34.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.42 1.105 . . . . 0.0 110.911 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -146.5 136.18 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.796 0.807 . . . . 0.0 110.656 174.319 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 1.002 HG12 ' HB ' ' A' ' 21' ' ' ILE . 7.7 p -112.37 117.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 122.68 1.228 . . . . 0.0 111.086 -173.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.498 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 62.5 p -122.33 121.12 35.98 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.259 174.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.994 HD13 HG23 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -131.01 114.34 26.62 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 121.95 -0.469 . . . . 0.0 109.929 -172.692 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.51 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 5.4 m-30 -110.8 156.69 20.74 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.682 -1.261 . . . . 0.0 112.415 -167.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.766 ' HB3' HD12 ' A' ' 30' ' ' ILE . 9.9 p30 -81.33 -175.54 5.52 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 122.051 0.929 . . . . 0.0 111.176 174.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.488 HG21 ' O ' ' A' ' 29' ' ' ASP . 71.2 p -56.93 -32.31 65.83 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 121.629 -0.669 . . . . 0.0 112.21 -173.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -94.98 30.66 2.05 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.189 -0.944 . . . . 0.0 112.388 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.86 19.79 59.09 Favored Glycine 0 C--O 1.246 0.858 0 O-C-N 121.227 -0.921 . . . . 0.0 112.401 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 136.87 32.78 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.443 -1.034 . . . . 0.0 111.316 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.51 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.7 p30 -74.36 92.23 2.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.17 0.986 . . . . 0.0 110.786 173.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.778 HG22 HD13 ' A' ' 30' ' ' ILE . 1.9 m -77.27 -16.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.726 -178.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 22' ' ' PRO . 0.8 OUTLIER -179.64 149.04 0.36 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.821 0.82 . . . . 0.0 110.977 176.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.78 170.05 23.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.78 0.8 . . . . 0.0 110.995 -173.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -175.07 168.56 3.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.037 0.923 . . . . 0.0 111.084 179.149 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.567 HD11 HD21 ' A' ' 5' ' ' ASN . 0.0 OUTLIER -123.69 114.93 43.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-O 121.312 0.577 . . . . 0.0 110.979 -173.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.146 ' HD2' HD11 ' A' ' 19' ' ' LEU . 5.3 m-30 -111.75 173.21 6.46 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 120.979 -1.076 . . . . 0.0 112.039 -171.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -162.96 108.66 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.027 0.918 . . . . 0.0 110.965 -172.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.999 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -76.98 125.54 29.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.584 0.707 . . . . 0.0 110.86 -178.455 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 161.81 19.97 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 124.297 1.999 . . . . 0.0 113.77 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.922 HG23 ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -124.95 158.93 32.3 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.61 169.143 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.1 157.93 45.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 123.113 1.435 . . . . 0.0 112.713 -171.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -171.78 86.19 0.08 Allowed 'General case' 0 C--O 1.238 0.455 0 CA-C-O 123.12 1.438 . . . . 0.0 110.811 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 . . . . . 0 C--O 1.27 2.18 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.266 -173.612 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . 0.424 ' O7 ' ' C3 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 1' ' ' LYS . 1.5 pttp . . . . . 0 C--O 1.24 0.591 0 CA-C-O 121.934 0.873 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.46 167.96 28.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.902 0.858 . . . . 0.0 110.966 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.467 HG23 HD11 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -112.26 167.9 5.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.887 0.851 . . . . 0.0 110.955 -174.64 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.454 ' H ' HG21 ' A' ' 3' ' ' ILE . 46.4 p -140.77 176.22 8.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.735 1.255 . . . . 0.0 111.232 -173.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -131.05 44.72 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 123.047 1.403 . . . . 0.0 110.493 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.74 171.91 7.72 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.963 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.953 HD11 ' CE1' ' A' ' 98' ' ' PHE . 26.1 mt -124.62 108.25 11.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.177 0.989 . . . . 0.0 111.389 -173.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.73 107.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.86 0.838 . . . . 0.0 111.03 -175.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.4 137.63 50.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.628 0.728 . . . . 0.0 110.721 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -136.73 142.51 43.06 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 121.454 0.645 . . . . 0.0 111.306 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.601 ' HA3' HD11 ' A' ' 73' ' ' LEU . . . -160.44 132.05 2.82 Favored Glycine 0 C--O 1.243 0.7 0 O-C-N 121.251 -0.905 . . . . 0.0 111.78 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.48 155.28 29.71 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 121.456 -1.026 . . . . 0.0 110.512 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.589 ' CD1' HG23 ' A' ' 102' ' ' ILE . 6.1 mp -62.28 135.71 57.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.739 1.257 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.93 34.73 33.11 Favored Glycine 0 C--O 1.241 0.543 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.518 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.73 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -131.54 116.04 16.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.133 0.968 . . . . 0.0 110.825 -172.361 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -78.5 132.93 37.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.517 1.151 . . . . 0.0 110.889 -173.247 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.72 ' CD1' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -125.8 175.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 122.792 1.282 . . . . 0.0 112.177 -171.149 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.432 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -129.1 126.25 38.95 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.974 173.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.926 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.4 OUTLIER -79.72 102.3 8.92 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.845 0.831 . . . . 0.0 110.142 172.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.39 -155.98 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.952 0.882 . . . . 0.0 111.028 -171.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.95 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.0 151.26 10.41 Favored Pre-proline 0 C--O 1.242 0.707 0 CA-C-O 121.424 0.631 . . . . 0.0 110.766 -172.244 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.95 ' HD2' HG12 ' A' ' 21' ' ' ILE . 22.8 Cg_exo -43.93 177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.633 4.889 . . . . 0.0 115.491 176.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.32 31.84 0.98 Allowed 'General case' 0 C--O 1.246 0.903 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.68 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.82 149.63 23.65 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 121.379 -0.825 . . . . 0.0 110.75 173.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -134.07 119.74 19.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.865 0.84 . . . . 0.0 111.187 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.429 ' HB2' ' HB ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -59.42 170.35 1.02 Allowed 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.493 0.663 . . . . 0.0 110.919 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -131.37 -125.93 0.2 Allowed 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.546 -0.722 . . . . 0.0 110.444 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -90.75 -10.5 42.72 Favored 'General case' 0 C--O 1.261 1.665 0 O-C-N 120.617 -1.302 . . . . 0.0 112.553 -171.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.486 ' O ' HG21 ' A' ' 88' ' ' THR . 23.8 m-20 -108.37 -5.94 16.47 Favored 'General case' 0 C--O 1.258 1.534 0 O-C-N 120.344 -1.473 . . . . 0.0 113.784 -170.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 26' ' ' MET . 0.4 OUTLIER -81.24 130.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.74 -178.325 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.14 -30.33 1.76 Allowed 'General case' 0 C--O 1.257 1.496 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -113.15 149.8 33.09 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.697 -1.252 . . . . 0.0 111.217 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.116 HG23 HD13 ' A' ' 62' ' ' LEU . 4.1 mp -135.83 161.82 37.71 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.729 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 36' ' ' GLU . 14.3 ttpt -157.87 147.99 20.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.723 1.725 . . . . 0.0 112.818 173.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.926 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 47.7 m95 -147.61 109.62 4.5 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.082 173.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 5.3 tt0 -107.29 162.89 13.49 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.736 -0.603 . . . . 0.0 110.797 -173.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.7 ttpm? -90.04 83.26 6.08 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.561 -0.712 . . . . 0.0 109.638 173.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.649 ' HG1' HG21 ' A' ' 80' ' ' ILE . 1.1 p -22.49 -62.55 0.04 OUTLIER 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.134 1.373 . . . . 0.0 113.88 -169.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -54.78 24.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.937 0.875 . . . . 0.0 111.068 -175.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.48 -7.66 48.93 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -175.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt 48.45 48.69 19.07 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.621 -1.299 . . . . 0.0 111.009 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -119.99 97.07 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 123.305 1.526 . . . . 0.0 112.228 -173.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.793 ' HD3' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -45.49 102.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 CA-C-O 122.463 1.125 . . . . 0.0 111.589 173.523 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.928 HD11 ' CE1' ' A' ' 60' ' ' TYR . 7.5 pt -93.15 -26.06 4.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.576 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -154.04 144.06 21.96 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.453 -0.78 . . . . 0.0 110.794 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 6.0 pt20 -171.78 153.28 3.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.784 1.278 . . . . 0.0 112.055 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.985 ' CE1' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -120.71 115.75 23.93 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.803 173.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HG2' ' HG3' ' A' ' 49' ' ' LYS . 11.4 ttt85 -155.82 134.32 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.561 0.696 . . . . 0.0 110.659 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 1.5 mtpp 66.83 134.22 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.609 0.719 . . . . 0.0 110.537 -172.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.66 33.83 0.91 Allowed 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.571 -0.706 . . . . 0.0 111.892 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.5 -9.69 7.42 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 173.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 176.02 112.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.24 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.985 HG22 ' CE1' ' A' ' 47' ' ' PHE . 16.6 p -112.48 -176.63 2.96 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.626 0.727 . . . . 0.0 111.265 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' HB3' ' HG3' ' A' ' 46' ' ' GLN . 32.0 t80 -132.22 89.94 2.74 Favored 'General case' 0 C--O 1.251 1.183 0 O-C-N 121.626 -0.671 . . . . 0.0 111.192 -174.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.82 10.71 0.14 Allowed 'General case' 0 C--O 1.257 1.467 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -174.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.64 83.81 6.74 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 120.13 1.332 . . . . 0.0 112.028 -173.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.664 ' HB2' HG23 ' A' ' 59' ' ' THR . 7.1 ptmt 179.39 149.75 0.29 Allowed 'General case' 0 C--O 1.257 1.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.552 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HA ' ' HG3' ' A' ' 61' ' ' LYS . 4.9 m-20 -85.4 -28.64 24.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.325 1.059 . . . . 0.0 112.249 173.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.664 HG23 ' HB2' ' A' ' 57' ' ' LYS . 6.4 t -51.23 -32.61 24.68 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.307 174.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.928 ' CE1' HD11 ' A' ' 44' ' ' ILE . 87.1 m-85 -150.54 105.8 3.35 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.117 172.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -106.8 160.93 15.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.55 1.167 . . . . 0.0 111.656 178.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 1.116 HD13 HG23 ' A' ' 33' ' ' ILE . 2.5 tp -120.01 124.84 46.88 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 124.354 1.062 . . . . 0.0 110.387 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.892 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 59.9 m-85 -111.78 171.68 7.35 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.673 -1.267 . . . . 0.0 111.252 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.01 67.22 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.822 0.82 . . . . 0.0 110.965 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.755 ' O ' HG23 ' A' ' 21' ' ' ILE . 12.4 p30 -79.05 0.9 26.0 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 121.715 -0.616 . . . . 0.0 112.049 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 23.39 38.25 Favored Glycine 0 C--O 1.25 1.118 0 O-C-N 120.871 -1.143 . . . . 0.0 112.245 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.719 HG23 ' HD2' ' A' ' 63' ' ' PHE . 3.3 m -89.99 158.92 17.14 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.002 -1.293 . . . . 0.0 110.801 173.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.718 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 2.5 tp -133.74 104.21 6.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.036 0.922 . . . . 0.0 111.4 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.892 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 14.7 tttt -87.0 102.77 14.72 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 121.689 -0.632 . . . . 0.0 110.779 -173.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.72 HD12 ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -117.26 131.41 70.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 123.231 1.491 . . . . 0.0 109.402 -173.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 23.1 tttp -100.44 155.48 17.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.335 -171.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 60.61 107.21 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.207 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.6 tm? -134.91 69.91 1.45 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.5 -172.49 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.977 0.894 . . . . 0.0 110.623 168.571 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.448 ' HA ' HG13 ' A' ' 102' ' ' ILE . 64.4 m -55.52 -27.84 51.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.181 0.991 . . . . 0.0 112.546 175.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -30.22 30.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.113 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.66 11.12 40.04 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.453 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -90.66 85.35 6.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.84 -1.162 . . . . 0.0 111.138 174.14 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -100.53 171.42 7.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.239 1.019 . . . . 0.0 111.147 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.725 HG22 ' HB3' ' A' ' 99' ' ' ASP . 0.5 OUTLIER -95.55 147.67 5.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.868 172.698 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.861 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 59.3 m-85 -139.77 164.22 30.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.441 1.115 . . . . 0.0 111.607 -171.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 32.1 ttmt -153.69 131.82 11.84 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.927 0.87 . . . . 0.0 110.83 174.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.909 HG23 ' CD1' ' A' ' 85' ' ' ILE . 4.5 p -105.58 119.68 55.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 122.438 1.113 . . . . 0.0 111.356 -173.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.09 122.2 37.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.775 0.798 . . . . 0.0 110.303 173.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.909 ' CD1' HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -131.41 120.86 47.11 Favored 'Isoleucine or valine' 0 C--O 1.255 1.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.912 -173.353 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -118.03 168.57 10.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.897 1.332 . . . . 0.0 112.405 -167.714 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 9.1 p30 -89.19 -174.78 4.55 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.361 1.077 . . . . 0.0 110.998 176.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.486 HG21 ' O ' ' A' ' 29' ' ' ASP . 68.7 p -56.58 -24.07 44.98 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.421 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -99.38 25.47 6.93 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.952 -1.093 . . . . 0.0 112.581 -172.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.55 15.19 56.97 Favored Glycine 0 C--O 1.248 1.016 0 O-C-N 121.123 -0.986 . . . . 0.0 111.946 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 11.1 mttt -90.32 119.83 30.94 Favored 'General case' 0 C--O 1.246 0.891 0 O-C-N 121.174 -1.192 . . . . 0.0 111.45 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -60.46 93.47 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.381 1.086 . . . . 0.0 110.648 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 91' ' ' LYS . 1.6 m -84.92 -11.96 11.49 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.453 0.644 . . . . 0.0 112.422 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tp -167.08 149.5 6.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.106 0.955 . . . . 0.0 110.846 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.7 152.94 36.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.926 0.869 . . . . 0.0 111.099 -173.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 1.1 tptm -161.88 162.66 29.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.817 0.817 . . . . 0.0 111.079 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.1 mt -117.76 148.31 20.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.585 0.707 . . . . 0.0 110.978 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.953 ' CE1' HD11 ' A' ' 7' ' ' LEU . 6.4 m-85 -137.37 174.73 10.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.156 0.979 . . . . 0.0 111.116 -178.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.725 ' HB3' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -170.17 102.87 0.29 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.528 0.68 . . . . 0.0 111.019 174.142 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.806 HD12 HD23 ' A' ' 19' ' ' LEU . 1.2 tp -54.02 146.1 15.31 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.673 0.749 . . . . 0.0 111.044 174.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.453 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 0.2 OUTLIER -130.56 171.55 12.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.51 1.148 . . . . 0.0 111.342 173.538 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.589 HG23 ' CD1' ' A' ' 13' ' ' LEU . 32.5 mm -126.37 146.17 32.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.211 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.494 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -141.13 151.18 43.7 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -172.403 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.494 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -173.54 90.92 0.08 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.798 1.285 . . . . 0.0 111.052 -176.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.169 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.05 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.539 0 CA-C-O 121.956 0.884 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -84.22 111.6 19.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.772 0.796 . . . . 0.0 111.04 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.88 146.54 19.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.129 0.966 . . . . 0.0 111.048 -174.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 p -112.74 177.41 4.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.626 1.203 . . . . 0.0 110.986 174.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -127.07 42.81 3.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.081 1.42 . . . . 0.0 110.13 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.62 171.34 8.64 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.02 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.984 HD11 ' CE2' ' A' ' 98' ' ' PHE . 13.8 mt -132.99 100.89 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.593 1.187 . . . . 0.0 111.364 -173.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.3 107.92 0.42 Allowed 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.037 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.505 ' HB ' HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -107.94 146.64 32.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.849 0.833 . . . . 0.0 110.98 176.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -142.92 147.4 35.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.647 0.736 . . . . 0.0 110.842 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.778 ' HA3' HD13 ' A' ' 73' ' ' LEU . . . -154.53 175.92 32.49 Favored Glycine 0 C--O 1.239 0.455 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -174.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.731 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -126.86 128.83 47.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.948 0.88 . . . . 0.0 111.04 -174.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.822 HD12 ' HB3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -46.86 122.18 4.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.372 1.558 . . . . 0.0 110.767 174.792 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.758 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 85.31 49.53 4.39 Favored Glycine 0 C--O 1.254 1.35 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.426 -172.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.801 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -142.0 -179.43 6.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 120.851 -1.381 . . . . 0.0 111.155 -173.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.801 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -135.75 121.32 19.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.232 1.015 . . . . 0.0 109.339 169.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.745 ' CG2' HD22 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -120.17 157.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.711 1.243 . . . . 0.0 112.719 -169.701 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.591 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.68 167.72 9.93 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 123.424 1.583 . . . . 0.0 112.081 173.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.874 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -123.48 90.54 3.3 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 124.328 1.051 . . . . 0.0 109.979 172.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -154.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.756 0.789 . . . . 0.0 111.238 -170.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 1.029 HD13 HD23 ' A' ' 94' ' ' LEU . 3.4 tp -169.56 155.21 5.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 121.383 0.611 . . . . 0.0 110.951 -172.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 1.01 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 23.1 Cg_exo -44.47 -172.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.303 1 C-N-CA 126.939 5.092 . . . . 0.0 115.465 174.084 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -87.88 30.94 0.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.574 -1.193 . . . . 0.0 112.186 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.678 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -121.14 139.46 53.32 Favored 'General case' 0 C--O 1.244 0.785 0 O-C-N 121.555 -0.716 . . . . 0.0 110.615 172.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.678 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -159.57 161.2 35.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.282 1.039 . . . . 0.0 111.437 -174.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.543 ' CE ' HD13 ' A' ' 33' ' ' ILE . 15.5 ptp -70.6 164.93 23.88 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.319 1.057 . . . . 0.0 112.718 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m -156.38 -109.14 0.03 OUTLIER 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.701 -0.625 . . . . 0.0 110.033 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -88.77 -15.28 35.07 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 121.503 -0.748 . . . . 0.0 112.181 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.48 -29.97 9.86 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.744 -1.223 . . . . 0.0 113.484 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -85.08 153.36 3.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 121.658 0.742 . . . . 0.0 110.965 -173.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.717 ' OD1' HG23 ' A' ' 88' ' ' THR . 0.3 OUTLIER -137.18 -29.56 0.89 Allowed 'General case' 0 C--O 1.261 1.708 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -172.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -124.98 153.0 43.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 120.572 1.533 . . . . 0.0 111.648 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.864 HG22 HG22 ' A' ' 85' ' ' ILE . 1.6 mt -133.72 160.11 42.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.895 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.839 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.749 ' HG3' ' HG2' ' A' ' 46' ' ' GLN . 6.1 tttm -158.73 144.03 16.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.467 1.603 . . . . 0.0 112.183 176.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.874 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 36.1 m95 -131.94 130.11 41.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.472 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 33.9 tt0 -114.58 159.46 20.4 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.608 -0.683 . . . . 0.0 110.873 -173.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.872 ' NZ ' ' HB2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -104.23 149.16 25.54 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.306 0.574 . . . . 0.0 109.971 -178.377 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 1.026 HG22 ' CG2' ' A' ' 80' ' ' ILE . 19.8 p -84.72 -53.0 5.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.725 0.774 . . . . 0.0 112.063 -172.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.5 m -44.98 -58.63 3.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.718 0.771 . . . . 0.0 112.095 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.872 ' HB2' ' NZ ' ' A' ' 37' ' ' LYS . 1.6 m-20 -105.88 -0.6 25.02 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HG3' ' OE2' ' A' ' 36' ' ' GLU . 31.2 tttt 57.52 58.58 3.7 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 120.923 -1.111 . . . . 0.0 110.307 -173.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.643 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.0 ttmt -142.04 141.56 32.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 123.747 1.737 . . . . 0.0 112.109 -172.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HB3' ' HE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.47 151.46 0.17 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 123.322 1.534 . . . . 0.0 112.802 -172.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.498 HD12 ' CD2' ' A' ' 81' ' ' TYR . 1.8 mt -128.69 -53.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 122.834 1.302 . . . . 0.0 110.624 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.81 ' CB ' HD12 ' A' ' 62' ' ' LEU . . . -149.71 145.08 26.49 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.397 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.749 ' HG2' ' HG3' ' A' ' 34' ' ' LYS . 14.4 mt-30 -156.13 157.61 36.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.56 1.648 . . . . 0.0 112.892 175.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.713 ' HE1' HG22 ' A' ' 53' ' ' THR . 3.7 m-85 -129.61 130.25 45.4 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.536 172.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -151.14 121.67 7.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.573 -0.704 . . . . 0.0 110.792 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.48 154.27 0.12 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.196 0.998 . . . . 0.0 110.356 -173.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.73 47.67 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.242 1.496 . . . . 0.0 110.686 172.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -124.63 -94.87 0.47 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.872 1.32 . . . . 0.0 109.105 -174.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -117.74 144.17 45.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.698 172.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.713 HG22 ' HE1' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -107.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.143 0.973 . . . . 0.0 112.012 -172.216 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.553 ' HE2' ' HB3' ' A' ' 43' ' ' LYS . 6.5 t80 -123.52 100.97 7.07 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.642 0.734 . . . . 0.0 111.263 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.08 107.43 4.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.747 0.784 . . . . 0.0 111.113 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.4 -38.87 48.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.755 0.788 . . . . 0.0 111.107 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.81 ' HB3' HG23 ' A' ' 59' ' ' THR . 15.0 tptt -165.62 172.64 11.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.797 0.808 . . . . 0.0 110.954 -174.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.87 -30.02 69.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.079 0.942 . . . . 0.0 112.364 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.81 HG23 ' HB3' ' A' ' 57' ' ' LYS . 8.8 t -50.69 -19.27 0.89 Allowed 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.989 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CE1' HG22 ' A' ' 70' ' ' ILE . 11.4 m-85 -150.45 101.48 2.96 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 121.391 -0.818 . . . . 0.0 111.261 172.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' ' 62' ' ' LEU . 6.2 tttp -133.29 148.43 51.93 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.937 -1.102 . . . . 0.0 112.359 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.81 HD12 ' CB ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -92.68 159.64 15.35 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.469 0.652 . . . . 0.0 111.432 -176.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.667 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 86.8 m-85 -129.07 176.65 7.73 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.932 0.872 . . . . 0.0 111.13 173.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.6 -38.61 77.35 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.317 -0.864 . . . . 0.0 111.019 -176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.545 ' O ' HG23 ' A' ' 21' ' ' ILE . 14.5 p30 -79.88 3.25 20.34 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.66 -0.65 . . . . 0.0 112.127 -174.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.68 23.72 48.97 Favored Glycine 0 C--O 1.251 1.16 0 O-C-N 120.85 -1.156 . . . . 0.0 112.284 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.602 HG23 ' CD2' ' A' ' 63' ' ' PHE . 2.3 m -90.22 160.86 15.99 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 120.92 -1.341 . . . . 0.0 110.925 173.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.865 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.9 tp -132.35 116.49 16.93 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.108 -0.995 . . . . 0.0 111.282 172.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.667 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 1.9 tptt -81.82 118.74 23.13 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.694 0.759 . . . . 0.0 111.283 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.829 HD12 ' HH ' ' A' ' 81' ' ' TYR . 2.3 mt -111.38 111.41 36.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.535 0.683 . . . . 0.0 110.189 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -80.31 152.6 28.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.804 0.811 . . . . 0.0 110.943 175.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CE1' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER 61.58 122.07 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.671 1.701 . . . . 0.0 110.897 -172.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.778 HD13 ' HA3' ' A' ' 11' ' ' GLY . 2.6 tm? -135.62 61.74 1.65 Allowed 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.995 1.379 . . . . 0.0 111.639 -171.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.822 ' HB3' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.0 -175.0 2.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 122.827 1.299 . . . . 0.0 112.498 173.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.4 m -56.98 -28.29 62.21 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.161 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.06 -43.69 14.84 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.209 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.77 -13.09 62.11 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.87 -0.519 . . . . 0.0 111.856 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.469 ' CB ' HG12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -82.4 115.79 21.58 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.02 -1.05 . . . . 0.0 111.003 -178.226 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.9 177.33 8.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.444 1.116 . . . . 0.0 111.167 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 1.026 ' CG2' HG22 ' A' ' 38' ' ' THR . 8.0 mt -101.53 149.37 6.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.86 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 172.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 1.042 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 16.3 m-85 -139.85 172.82 12.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 122.017 0.913 . . . . 0.0 110.967 -171.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -151.39 122.28 7.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.942 0.877 . . . . 0.0 110.834 173.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.503 ' HB ' ' CZ2' ' A' ' 35' ' ' TRP . 4.6 p -97.3 115.55 37.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.683 1.23 . . . . 0.0 111.121 -173.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.454 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -123.29 111.7 16.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.713 0.768 . . . . 0.0 110.354 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.864 HG22 HG22 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -124.73 124.9 68.99 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.853 -173.029 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.775 ' O ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.08 -179.94 3.98 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 120.467 -1.396 . . . . 0.0 112.51 -167.824 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.774 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.4 p-10 -99.32 -168.5 1.62 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.296 1.046 . . . . 0.0 110.688 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.717 HG23 ' OD1' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -62.98 -34.2 77.02 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.329 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -92.34 15.45 13.82 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.643 -0.66 . . . . 0.0 112.392 -173.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.83 23.43 78.01 Favored Glycine 0 C--O 1.25 1.131 0 O-C-N 120.862 -1.149 . . . . 0.0 112.568 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.774 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 5.7 mmmt -90.66 125.11 35.56 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 121.024 -1.28 . . . . 0.0 111.22 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.54 88.89 0.14 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.82 0.819 . . . . 0.0 110.32 172.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.509 HG11 ' O ' ' A' ' 91' ' ' LYS . 6.2 m -84.51 -26.82 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 122.433 1.111 . . . . 0.0 112.363 -173.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 1.029 HD23 HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -138.93 143.29 38.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.569 1.176 . . . . 0.0 110.189 176.155 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.869 ' N ' HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -158.66 152.03 22.89 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.431 -172.479 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.78 ' HG3' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -174.13 150.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.007 0.908 . . . . 0.0 110.991 -178.648 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.5 151.34 7.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.984 ' CE2' HD11 ' A' ' 7' ' ' LEU . 2.8 m-85 -134.9 166.11 23.76 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.592 -0.693 . . . . 0.0 111.101 -176.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.734 ' OD2' HG12 ' A' ' 80' ' ' ILE . 3.5 m-20 -149.68 90.16 1.68 Allowed 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.608 -0.683 . . . . 0.0 111.236 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 1.042 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -66.05 125.94 27.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.843 0.83 . . . . 0.0 110.747 177.428 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 166.67 16.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.653 1.216 . . . . 0.0 112.091 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.605 ' CD1' HD12 ' A' ' 73' ' ' LEU . 4.3 mm -124.0 144.38 33.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.805 170.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 26.8 tt0 -127.36 61.38 1.38 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 124.98 2.324 . . . . 0.0 110.453 -172.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -175.53 94.14 0.06 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 124.113 1.911 . . . . 0.0 110.559 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 . . . . . 0 C--O 1.27 2.158 0 CA-C-N 113.6 -1.636 . . . . 0.0 111.043 -179.714 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.952 0.882 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -128.61 161.74 28.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.797 0.808 . . . . 0.0 110.994 -173.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.28 155.61 2.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.909 0.861 . . . . 0.0 111.23 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.7 p -102.44 140.76 36.3 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 121.665 0.745 . . . . 0.0 110.965 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.521 ' O ' HD11 ' A' ' 97' ' ' ILE . 13.5 p30 -160.17 53.12 0.33 Allowed 'General case' 0 C--O 1.248 0.976 0 O-C-N 121.363 -0.836 . . . . 0.0 111.531 -173.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.06 172.75 14.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 123.296 1.522 . . . . 0.0 112.22 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.1 HD22 ' CE2' ' A' ' 98' ' ' PHE . 15.7 tp -139.32 122.01 16.39 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.934 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 117.79 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.522 0.677 . . . . 0.0 111.083 175.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HB ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -118.83 116.18 25.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.644 0.735 . . . . 0.0 110.557 -176.694 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -104.01 156.13 18.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.195 0.998 . . . . 0.0 112.501 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 103' ' ' GLN . . . -160.31 -174.49 30.17 Favored Glycine 0 C--O 1.239 0.446 0 CA-C-O 122.378 0.988 . . . . 0.0 111.595 173.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.0 158.83 43.34 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 121.739 -0.859 . . . . 0.0 110.389 173.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CD1' HG23 ' A' ' 102' ' ' ILE . 3.5 mp -79.31 138.06 37.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.712 1.72 . . . . 0.0 113.186 -172.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.93 34.33 38.54 Favored Glycine 0 N--CA 1.466 0.65 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -173.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 4.0 tp60 -164.58 152.95 12.47 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 124.679 2.18 . . . . 0.0 115.13 -168.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.557 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -79.39 157.32 27.63 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 123.506 1.622 . . . . 0.0 112.546 -171.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.446 HD13 ' HB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -146.04 139.47 20.82 Favored 'Isoleucine or valine' 0 C--O 1.25 1.094 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.96 172.694 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -104.27 158.35 16.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.56 1.648 . . . . 0.0 112.593 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.117 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -117.65 69.07 0.77 Allowed 'General case' 0 C--O 1.242 0.704 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.703 -177.124 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.41 104.54 14.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.508 1.147 . . . . 0.0 109.867 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 1.002 HG22 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -96.36 -54.75 0.21 Allowed Pre-proline 0 C--O 1.264 1.853 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -169.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 1.002 ' HD3' HG22 ' A' ' 21' ' ' ILE . 25.3 Cg_endo -80.45 142.27 14.63 Favored 'Trans proline' 1 N--CA 1.536 4.009 1 C-N-CA 126.124 4.549 . . . . 0.0 117.893 -170.728 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 t -93.69 21.37 6.49 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 124.08 0.952 . . . . 0.0 111.06 172.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -123.33 172.27 8.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.212 1.006 . . . . 0.0 111.735 -170.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.2 106.57 6.44 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.892 0.853 . . . . 0.0 110.882 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.17 159.93 1.18 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.306 1.05 . . . . 0.0 111.282 -173.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.71 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.8 1.286 . . . . 0.0 112.053 -173.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.58 -98.22 0.03 OUTLIER 'General case' 0 C--O 1.254 1.332 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.937 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.867 ' O ' HG21 ' A' ' 88' ' ' THR . 3.8 m-20 -127.44 16.98 7.06 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.834 -1.166 . . . . 0.0 112.46 -172.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.46 HD11 HG22 ' A' ' 93' ' ' VAL . 9.5 mm -64.38 124.71 19.71 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 O-C-N 120.989 -1.069 . . . . 0.0 110.693 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -123.82 -39.16 2.42 Favored 'General case' 0 C--O 1.258 1.532 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -172.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' O ' HG21 ' A' ' 85' ' ' ILE . 4.7 m-20 -111.46 151.04 29.04 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.535 -1.353 . . . . 0.0 111.868 -171.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.87 ' HA ' HG22 ' A' ' 85' ' ' ILE . 2.5 mt -140.76 117.01 7.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.815 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.31 150.79 39.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.595 1.188 . . . . 0.0 111.371 -173.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 1.117 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.3 m95 -146.43 117.21 7.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.644 173.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.59 ' C ' HD11 ' A' ' 44' ' ' ILE . 4.0 mt-10 -105.2 162.28 13.54 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.397 0.618 . . . . 0.0 110.8 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.922 ' HB2' HD13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -101.09 107.93 19.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.624 0.726 . . . . 0.0 109.806 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 1.112 ' CG2' HG21 ' A' ' 80' ' ' ILE . 6.4 p -50.38 -35.11 26.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.269 -171.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.4 m -53.37 -76.02 0.03 OUTLIER 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.561 0.696 . . . . 0.0 111.35 -173.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.551 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -95.95 12.26 31.0 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 121.657 -0.652 . . . . 0.0 111.974 -177.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.38 56.14 8.13 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.986 -1.071 . . . . 0.0 110.219 -173.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.694 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.1 mmmt -134.8 128.82 33.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.977 1.37 . . . . 0.0 111.221 -173.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -43.08 152.65 0.11 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 123.923 1.82 . . . . 0.0 113.413 -172.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.922 HD13 ' HB2' ' A' ' 37' ' ' LYS . 39.8 mt -130.65 -49.31 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 122.744 1.259 . . . . 0.0 110.595 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.429 ' HB2' HD12 ' A' ' 68' ' ' LEU . . . -154.37 134.4 13.11 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.341 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.469 ' HG3' ' HD2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -154.51 145.86 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.062 1.411 . . . . 0.0 112.627 -173.685 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.579 ' HD1' HG23 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.1 137.47 49.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.59 172.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.61 86.58 0.31 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.486 0.66 . . . . 0.0 110.89 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 65.85 155.67 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.541 1.162 . . . . 0.0 110.131 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.79 44.32 1.11 Allowed 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.33 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -109.64 -10.09 14.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.742 1.258 . . . . 0.0 113.937 172.381 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 37.2 tt0 169.4 125.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.863 -174.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.579 HG23 ' HD1' ' A' ' 47' ' ' PHE . 5.1 p -136.99 162.33 33.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.025 0.917 . . . . 0.0 111.234 -175.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 46' ' ' GLN . 0.3 OUTLIER -113.76 103.93 11.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.822 0.82 . . . . 0.0 110.947 -179.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -153.84 97.57 2.1 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.54 -54.67 6.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.577 0.703 . . . . 0.0 111.31 -175.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 176.69 12.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.331 1.063 . . . . 0.0 110.816 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . 11.5 m-20 -60.29 -35.63 75.99 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.895 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.444 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 89.3 m -54.04 -16.78 2.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.367 -173.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.627 ' HE1' ' CE1' ' A' ' 81' ' ' TYR . 28.2 m-85 -147.79 88.71 1.7 Allowed 'General case' 0 C--O 1.251 1.173 0 O-C-N 121.652 -0.655 . . . . 0.0 110.538 173.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.846 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -106.06 159.58 15.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.238 1.494 . . . . 0.0 112.156 -172.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.736 HD13 HG21 ' A' ' 33' ' ' ILE . 13.4 tp -117.53 129.81 56.03 Favored 'General case' 0 C--O 1.251 1.142 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.611 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.846 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 22.3 m-30 -101.68 174.01 6.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.294 1.045 . . . . 0.0 111.214 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -72.73 -33.62 66.52 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-O 121.735 0.779 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -84.56 2.98 38.8 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 121.829 -0.545 . . . . 0.0 112.185 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.698 ' HA2' HG23 ' A' ' 33' ' ' ILE . . . 87.19 18.3 57.72 Favored Glycine 0 C--O 1.251 1.186 0 O-C-N 120.822 -1.174 . . . . 0.0 112.774 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.656 ' HB ' ' HD2' ' A' ' 63' ' ' PHE . 2.8 m -90.14 146.88 23.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.851 -1.382 . . . . 0.0 110.921 173.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.727 HD22 ' HG ' ' A' ' 19' ' ' LEU . 1.4 tp -120.93 127.64 52.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 110.911 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.18 145.22 30.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.022 0.915 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.7 HG21 ' OD2' ' A' ' 77' ' ' ASP . 4.3 mt -112.75 98.76 7.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 171.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.453 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 24.1 tttt -77.11 134.82 38.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 124.038 1.875 . . . . 0.0 115.586 -167.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.7 t60 39.67 90.68 0.01 OUTLIER 'General case' 0 C--O 1.252 1.206 0 C-N-CA 125.886 1.674 . . . . 0.0 114.716 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.783 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -179.37 175.87 0.88 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 125.586 2.612 . . . . 0.0 114.975 170.7 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.606 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.51 -155.96 0.51 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-N 113.663 -1.608 . . . . 0.0 113.112 -172.757 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.467 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.7 m -45.4 -27.29 0.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 0.0 112.712 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -49.13 73.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.783 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 1.1 m-20 -70.83 -11.34 60.9 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.142 173.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 1.063 ' HG2' ' HB2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.92 100.72 13.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.621 1.2 . . . . 0.0 110.305 178.553 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.892 ' C ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -135.4 168.99 18.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.95 1.357 . . . . 0.0 111.563 178.701 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 1.112 HG21 ' CG2' ' A' ' 38' ' ' THR . 96.4 mt -84.45 142.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 122.65 1.214 . . . . 0.0 110.699 175.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.745 ' CA ' HG21 ' A' ' 38' ' ' THR . 96.8 m-85 -137.38 168.76 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.941 0.877 . . . . 0.0 110.849 -172.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.476 ' HG3' HG22 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -150.45 135.58 17.78 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 121.445 0.641 . . . . 0.0 110.429 173.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 1.001 HG22 HG23 ' A' ' 21' ' ' ILE . 1.4 p -117.74 128.32 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.596 1.189 . . . . 0.0 111.535 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.783 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 61.4 p -134.65 106.91 7.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.779 0.8 . . . . 0.0 110.494 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.87 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.1 mm -110.78 119.17 58.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.72 -173.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.783 ' HE1' ' HB2' ' A' ' 84' ' ' SER . 1.0 OUTLIER -110.03 171.02 7.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.905 1.336 . . . . 0.0 112.601 -167.475 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.667 ' HB3' HG12 ' A' ' 93' ' ' VAL . 41.3 p-10 -93.99 -168.4 1.87 Allowed 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.857 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.867 HG21 ' O ' ' A' ' 29' ' ' ASP . 36.8 p -59.46 -28.23 66.8 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.988 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -90.71 3.85 53.15 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 121.167 -0.958 . . . . 0.0 112.62 -173.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.08 1.94 90.45 Favored Glycine 0 C--O 1.252 1.275 0 O-C-N 120.734 -1.229 . . . . 0.0 112.75 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.748 -1.442 . . . . 0.0 111.902 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.508 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -72.45 86.06 1.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.819 0.819 . . . . 0.0 110.315 172.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 87' ' ' ASP . 1.7 m -77.31 -23.3 14.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.277 1.036 . . . . 0.0 112.629 -172.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.947 HD12 ' N ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -147.97 145.38 28.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.181 0.991 . . . . 0.0 109.598 173.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.947 ' N ' HD12 ' A' ' 94' ' ' LEU . 2.1 tm-20 -155.03 164.97 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.271 1.51 . . . . 0.0 112.899 -171.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.562 ' N ' ' HG2' ' A' ' 95' ' ' GLU . 5.3 mttp -178.4 158.1 1.08 Allowed 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.746 173.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.535 ' C ' ' HD1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -112.7 159.57 12.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 O-C-N 121.631 -0.668 . . . . 0.0 110.473 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.1 ' CE2' HD22 ' A' ' 7' ' ' LEU . 3.8 m-85 -138.48 168.5 19.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.763 1.268 . . . . 0.0 113.082 -171.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.77 ' CG ' HG12 ' A' ' 80' ' ' ILE . 4.0 t0 -157.36 113.85 2.95 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 122.609 1.195 . . . . 0.0 112.04 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 1.063 ' HB2' ' HG2' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -42.48 160.92 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.88 1.8 . . . . 0.0 115.38 173.253 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.859 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 4.3 mmpt? -159.79 171.37 19.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.261 -1.336 . . . . 0.0 110.582 165.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.788 HG23 ' CD1' ' A' ' 13' ' ' LEU . 3.3 mm -150.76 138.21 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 122.427 1.108 . . . . 0.0 109.491 169.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 11' ' ' GLY . 15.4 pt20 -100.61 112.75 25.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.799 1.285 . . . . 0.0 111.966 -170.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.83 87.8 0.01 OUTLIER 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.67 173.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.131 0 CA-C-O 122.042 0.925 . . . . 0.0 111.2 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . 0.427 ' H5 ' ' CD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.924 0.868 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -126.08 120.82 31.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.875 0.845 . . . . 0.0 111.05 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.541 HG21 ' O ' ' A' ' 4' ' ' THR . 4.4 mm -121.43 157.78 24.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.942 0.877 . . . . 0.0 110.996 173.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.541 ' O ' HG21 ' A' ' 3' ' ' ILE . 32.4 p -91.54 171.69 9.01 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.964 0.888 . . . . 0.0 110.972 177.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.612 ' O ' HD11 ' A' ' 97' ' ' ILE . 35.4 m-80 -151.79 49.74 0.8 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.019 0.914 . . . . 0.0 110.911 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.4 172.9 17.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.248 1.023 . . . . 0.0 111.142 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.9 HD22 ' CD2' ' A' ' 98' ' ' PHE . 49.3 tp -138.58 95.94 3.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.886 0.85 . . . . 0.0 110.949 -176.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 103.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.851 0.834 . . . . 0.0 110.901 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.746 HG23 ' HA ' ' A' ' 100' ' ' LEU . 1.2 m -109.26 140.05 43.41 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.424 0.63 . . . . 0.0 110.502 -177.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.448 ' CE2' ' HD2' ' A' ' 101' ' ' LYS . 86.0 m95 -137.9 141.5 40.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.786 0.803 . . . . 0.0 111.659 -172.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.79 -136.95 2.94 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.889 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -169.01 146.72 3.75 Favored 'General case' 0 C--O 1.241 0.65 0 O-C-N 121.647 -0.914 . . . . 0.0 111.579 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.006 HD12 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -66.33 122.17 16.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.959 1.838 . . . . 0.0 110.212 172.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.9 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 94.04 32.05 7.73 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.889 ' HG3' ' HB2' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -117.59 -173.96 2.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 124.568 2.128 . . . . 0.0 114.326 -169.553 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.56 120.59 6.68 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.966 171.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.687 HG21 HD13 ' A' ' 73' ' ' LEU . 15.5 tt -149.2 163.59 4.33 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.713 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -113.03 161.33 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.732 1.73 . . . . 0.0 112.859 -172.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.073 HD21 HD13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -102.27 122.47 44.28 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.841 173.186 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.01 -155.23 0.46 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.979 0.895 . . . . 0.0 111.106 -171.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.954 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -168.95 150.58 4.53 Favored Pre-proline 0 C--O 1.245 0.835 0 CA-C-O 121.388 0.614 . . . . 0.0 110.584 -173.427 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 1.036 ' HG3' HD23 ' A' ' 94' ' ' LEU . 10.0 Cg_endo -46.84 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 127.041 5.161 . . . . 0.0 114.565 176.208 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.06 29.92 0.8 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.566 -174.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.71 123.99 49.85 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 121.647 -0.658 . . . . 0.0 110.06 171.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.96 151.08 39.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.58 1.181 . . . . 0.0 111.203 -172.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.891 ' HG2' HD11 ' A' ' 30' ' ' ILE . 2.5 mtp -89.58 164.77 14.63 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.997 0.903 . . . . 0.0 110.996 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 p -156.41 -120.86 0.03 OUTLIER 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.113 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.46 20.26 4.67 Favored 'General case' 0 C--O 1.254 1.305 0 O-C-N 120.842 -1.161 . . . . 0.0 111.828 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.545 ' O ' HG21 ' A' ' 88' ' ' THR . 97.7 m-20 -124.22 -45.46 1.97 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.532 1.158 . . . . 0.0 112.816 -173.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.891 HD11 ' HG2' ' A' ' 26' ' ' MET . 1.2 mt -73.1 135.53 27.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.691 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -21.25 4.37 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 86' ' ' TYR . 5.2 t70 -122.81 143.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 123.059 1.409 . . . . 0.0 111.977 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.997 HG22 ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -132.38 155.65 41.63 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.487 173.501 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.623 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 4.9 mttp -157.61 142.63 16.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 123.254 1.502 . . . . 0.0 111.767 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.877 ' HB3' HD21 ' A' ' 68' ' ' LEU . 38.3 m95 -142.34 120.82 12.44 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.55 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CG ' ' HA ' ' A' ' 43' ' ' LYS . 3.4 mt-10 -131.71 176.81 8.01 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 121.5 -0.75 . . . . 0.0 111.12 -173.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.707 ' HG3' HD13 ' A' ' 44' ' ' ILE . 1.0 OUTLIER -86.36 141.15 29.41 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 121.573 -0.705 . . . . 0.0 109.692 172.002 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 1.075 ' CG2' HG21 ' A' ' 80' ' ' ILE . 25.8 p -69.11 -58.36 4.18 Favored 'General case' 0 C--O 1.244 0.789 0 O-C-N 121.316 -0.865 . . . . 0.0 111.457 -170.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.01 -35.13 10.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.119 0.961 . . . . 0.0 110.776 -173.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.14 -28.89 68.51 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.733 0.777 . . . . 0.0 110.923 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp 55.49 60.2 3.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.944 0.878 . . . . 0.0 110.756 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.665 ' HB3' ' HD3' ' A' ' 37' ' ' LYS . 5.5 tttt -138.76 121.37 16.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.521 1.153 . . . . 0.0 111.468 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 36' ' ' GLU . 10.3 mttp -49.33 158.84 0.36 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.781 1.277 . . . . 0.0 111.876 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.83 HG22 ' CG ' ' A' ' 60' ' ' TYR . 47.1 mt -138.51 -50.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 123.15 1.452 . . . . 0.0 110.511 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.754 ' CB ' HD12 ' A' ' 62' ' ' LEU . . . -151.2 131.38 13.55 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 -176.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.623 ' HG3' ' HG2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -162.3 141.97 9.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.236 1.493 . . . . 0.0 113.225 -172.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.834 ' CD1' HG22 ' A' ' 53' ' ' THR . 0.3 OUTLIER -126.06 120.11 29.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.372 172.381 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.783 ' H ' HG23 ' A' ' 53' ' ' THR . 8.4 ttm180 -138.33 96.27 3.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.388 -0.82 . . . . 0.0 111.16 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? 68.38 156.88 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.625 1.202 . . . . 0.0 110.269 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.89 38.34 0.8 Allowed 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.045 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.84 -7.93 9.93 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 172.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 50.5 tt0 176.29 113.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.068 -174.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.834 HG22 ' CD1' ' A' ' 47' ' ' PHE . 30.4 p -148.74 168.96 21.52 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.658 0.742 . . . . 0.0 110.952 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -160.13 132.84 6.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 -173.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -170.15 33.43 0.02 OUTLIER 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.811 -0.556 . . . . 0.0 111.408 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -90.14 83.15 6.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.844 0.83 . . . . 0.0 111.388 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.9 mtmt 179.67 129.66 0.08 Allowed 'General case' 0 C--O 1.251 1.181 0 O-C-N 121.889 -0.507 . . . . 0.0 110.875 173.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.16 -35.01 61.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.542 1.163 . . . . 0.0 111.262 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 57.3 m -52.03 -26.19 10.27 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.356 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.83 ' CG ' HG22 ' A' ' 44' ' ' ILE . 1.6 m-30 -151.06 93.84 1.98 Allowed 'General case' 0 C--O 1.26 1.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 174.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.682 ' O ' HD11 ' A' ' 68' ' ' LEU . 6.6 ttpt -134.85 150.28 50.45 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.613 -1.304 . . . . 0.0 113.243 -173.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.754 HD12 ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.19 168.48 12.71 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.854 0.862 . . . . 0.0 111.22 -176.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 1.071 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 69.6 m-85 -135.2 176.66 8.46 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.101 -0.999 . . . . 0.0 111.05 172.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.47 83.39 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.778 0.799 . . . . 0.0 111.002 177.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.59 ' O ' HG23 ' A' ' 21' ' ' ILE . 19.0 p30 -86.24 7.68 24.22 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 121.761 -0.587 . . . . 0.0 112.141 -174.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.56 22.27 58.65 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.879 -1.138 . . . . 0.0 112.577 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.598 HG23 ' CD1' ' A' ' 63' ' ' PHE . 1.1 m -90.21 146.08 24.53 Favored 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.015 -1.285 . . . . 0.0 110.874 173.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.877 HD21 ' HB3' ' A' ' 35' ' ' TRP . 48.6 tp -112.78 102.46 10.49 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.627 -0.671 . . . . 0.0 111.786 173.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 1.071 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 7.8 tttp -78.98 120.31 23.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.336 -0.852 . . . . 0.0 111.284 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 1.073 HD13 HD21 ' A' ' 19' ' ' LEU . 7.8 mt -108.05 108.08 24.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.011 0.91 . . . . 0.0 110.268 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -98.3 145.88 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.792 0.806 . . . . 0.0 112.686 -172.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.531 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 8.6 t-160 60.6 109.82 0.02 OUTLIER 'General case' 0 C--O 1.244 0.81 0 CA-C-O 122.492 1.139 . . . . 0.0 111.964 177.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 1.126 ' HB3' ' CB ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -140.83 -176.52 4.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 123.762 1.744 . . . . 0.0 112.112 -176.418 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 1.006 ' HB3' HD12 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -153.41 -142.92 0.12 Allowed 'General case' 0 C--O 1.245 0.846 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.806 172.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.463 ' N ' ' HB2' ' A' ' 13' ' ' LEU . 17.2 m -79.53 -25.5 41.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 123.548 1.642 . . . . 0.0 110.449 164.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -82.55 -15.91 50.53 Favored 'General case' 0 C--O 1.263 1.792 0 C-N-CA 124.44 1.096 . . . . 0.0 112.92 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 1.126 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 15.4 t70 -69.89 -29.25 66.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 120.319 1.418 . . . . 0.0 110.549 173.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.596 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 6.5 tt0 -50.07 129.85 21.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.685 1.231 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 1.1 t70 -163.16 168.37 20.87 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.164 0.983 . . . . 0.0 110.763 175.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 1.075 HG21 ' CG2' ' A' ' 38' ' ' THR . 2.4 mp -96.31 146.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.381 1.086 . . . . 0.0 110.372 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.753 ' CD2' HD23 ' A' ' 19' ' ' LEU . 47.6 m-85 -140.66 164.21 30.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.805 0.812 . . . . 0.0 110.693 -171.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.56 134.38 12.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 121.664 0.745 . . . . 0.0 110.58 173.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.942 HG13 ' CE1' ' A' ' 98' ' ' PHE . 5.7 p -107.86 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 122.498 1.142 . . . . 0.0 111.226 -173.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.518 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -120.73 118.03 29.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.766 0.827 . . . . 0.0 110.317 175.664 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.997 ' CG2' HG22 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -129.9 119.44 47.33 Favored 'Isoleucine or valine' 0 C--O 1.247 0.964 0 O-C-N 121.821 -0.55 . . . . 0.0 110.052 -173.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.532 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 1.4 m-85 -113.57 159.67 19.36 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.725 1.25 . . . . 0.0 112.775 -168.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -84.25 -171.64 3.73 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.12 0.962 . . . . 0.0 111.065 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.545 HG21 ' O ' ' A' ' 29' ' ' ASP . 71.1 p -56.2 -36.55 68.53 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.084 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -86.27 20.14 2.48 Favored 'General case' 0 C--O 1.254 1.313 0 O-C-N 121.207 -0.933 . . . . 0.0 112.685 -172.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.6 11.79 60.54 Favored Glycine 0 C--O 1.25 1.117 0 O-C-N 120.883 -1.136 . . . . 0.0 112.192 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -87.26 134.84 33.5 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.935 -1.332 . . . . 0.0 111.305 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.532 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -72.46 87.46 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.179 0.99 . . . . 0.0 110.537 173.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.408 HG22 HD13 ' A' ' 30' ' ' ILE . 3.9 m -75.95 -22.02 15.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.195 0.998 . . . . 0.0 112.387 -173.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 1.036 HD23 ' HG3' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -154.94 144.38 21.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.439 1.114 . . . . 0.0 110.748 173.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.793 ' H ' HD21 ' A' ' 94' ' ' LEU . 5.3 pt-20 -155.51 147.16 23.07 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.417 -174.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.742 ' HD3' ' HD3' ' A' ' 22' ' ' PRO . 26.6 tttt -165.91 160.19 16.55 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.503 1.144 . . . . 0.0 111.47 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.612 HD11 ' O ' ' A' ' 5' ' ' ASN . 3.0 mt -112.56 140.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.167 0.984 . . . . 0.0 110.814 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.942 ' CE1' HG13 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -134.41 154.68 51.25 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.884 -173.073 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.651 ' OD1' HG22 ' A' ' 80' ' ' ILE . 3.4 m-20 -142.34 86.46 1.96 Allowed 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.477 -0.764 . . . . 0.0 111.167 -172.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.746 ' HA ' HG23 ' A' ' 9' ' ' THR . 4.0 tp -70.03 119.43 14.22 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.39 -0.819 . . . . 0.0 110.871 -175.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.596 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 24.4 mttm -116.48 174.45 6.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 123.221 1.486 . . . . 0.0 111.864 -173.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.699 HG22 ' HA ' ' A' ' 12' ' ' ALA . 5.9 mm -134.57 143.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.762 170.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -118.47 141.24 48.76 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.794 1.283 . . . . 0.0 111.8 -170.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -103.37 58.83 0.75 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 125.164 2.411 . . . . 0.0 110.242 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.139 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.983 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.727 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 9.6 ttmt . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.915 0.864 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.727 ' N ' ' HG2' ' A' ' 1' ' ' LYS . 10.0 tp10 -98.7 140.68 32.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.913 0.863 . . . . 0.0 111.07 175.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.9 128.78 75.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.821 0.82 . . . . 0.0 110.886 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.5 p -161.6 177.44 10.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.898 1.332 . . . . 0.0 111.572 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.25 42.25 3.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 123.056 1.408 . . . . 0.0 110.301 173.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.04 175.72 5.38 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.183 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.853 HD11 ' CE2' ' A' ' 98' ' ' PHE . 11.6 mt -106.16 104.71 14.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.865 0.84 . . . . 0.0 110.938 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.34 110.15 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.636 0.731 . . . . 0.0 111.123 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 1.0 HG22 HD21 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -115.14 128.98 56.54 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 179.141 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -123.39 149.72 44.62 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 121.646 -0.659 . . . . 0.0 110.881 -173.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.06 -175.78 31.42 Favored Glycine 0 C--O 1.239 0.433 0 CA-C-O 122.796 1.22 . . . . 0.0 112.367 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.62 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -115.18 170.65 8.21 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 121.671 -0.899 . . . . 0.0 110.744 173.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.853 ' CD1' HG23 ' A' ' 102' ' ' ILE . 5.1 mp -80.01 132.5 36.01 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.25 1.024 . . . . 0.0 112.378 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 37.34 23.74 Favored Glycine 0 N--CA 1.468 0.776 0 CA-C-O 123.32 1.511 . . . . 0.0 109.381 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.62 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 6.1 tt0 -131.74 132.09 43.56 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.756 1.265 . . . . 0.0 113.106 -170.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.55 134.53 36.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.899 176.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.875 ' CG2' HD23 ' A' ' 100' ' ' LEU . 5.9 tp -139.59 156.58 26.42 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 CA-C-O 121.333 0.587 . . . . 0.0 110.698 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.837 ' O ' HD22 ' A' ' 19' ' ' LEU . 2.5 m120 -116.54 -179.27 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.626 1.679 . . . . 0.0 112.465 -172.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.889 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 30.0 mt -139.39 127.52 22.47 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.742 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -119.51 116.77 26.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.898 1.332 . . . . 0.0 111.958 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.574 ' CG1' ' HD2' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -78.8 151.05 76.34 Favored Pre-proline 0 C--O 1.24 0.554 0 CA-C-O 122.029 0.919 . . . . 0.0 111.546 175.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.574 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 36.6 Cg_exo -46.3 -174.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.351 1 C-N-CA 127.158 5.238 . . . . 0.0 115.487 174.306 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -89.37 30.8 0.95 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.364 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.796 ' O ' HD21 ' A' ' 94' ' ' LEU . 8.2 m-30 -128.06 83.46 2.16 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 121.445 -0.784 . . . . 0.0 110.217 172.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 170.83 9.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.47 1.128 . . . . 0.0 111.639 -172.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.803 ' HE1' HD13 ' A' ' 33' ' ' ILE . 3.3 ptp -57.62 155.03 10.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.049 0.928 . . . . 0.0 111.069 -175.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -173.57 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 123.027 1.394 . . . . 0.0 110.892 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.68 -70.06 0.31 Allowed 'General case' 0 C--O 1.247 0.972 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.652 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -139.22 23.97 2.53 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 121.043 -1.035 . . . . 0.0 112.353 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 26' ' ' MET . 0.5 OUTLIER -79.15 133.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 121.052 -1.03 . . . . 0.0 110.555 173.623 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.95 -26.67 2.87 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -172.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' O ' HG21 ' A' ' 85' ' ' ILE . 3.6 t70 -105.5 140.01 39.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 120.752 -1.218 . . . . 0.0 111.304 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.94 HG22 ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -132.97 151.59 34.53 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.723 173.756 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HG3' ' HB2' ' A' ' 46' ' ' GLN . 4.8 ttpt -153.12 148.69 27.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 123.517 1.627 . . . . 0.0 112.131 173.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.889 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 48.9 m95 -144.78 109.1 4.84 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.059 174.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.598 ' OE2' ' HG2' ' A' ' 41' ' ' LYS . 3.8 tt0 -104.58 156.12 18.24 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.252 0.549 . . . . 0.0 110.791 -173.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.733 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 9.8 ttpt -88.97 83.92 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.365 0.602 . . . . 0.0 109.396 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.6 HG21 ' CA ' ' A' ' 81' ' ' TYR . 18.7 p -48.01 -23.65 0.86 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -169.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -47.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.264 -0.898 . . . . 0.0 111.74 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.19 24.35 12.98 Favored 'General case' 0 C--O 1.249 1.043 0 O-C-N 121.813 -0.555 . . . . 0.0 111.931 174.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.598 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 2.5 ttmt 53.4 60.56 3.64 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.257 -0.902 . . . . 0.0 110.838 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.733 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 10.5 mmmt -128.73 105.58 8.36 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.624 1.202 . . . . 0.0 112.777 -173.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 128.94 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.938 1.351 . . . . 0.0 111.772 -175.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.447 HD11 ' CD1' ' A' ' 60' ' ' TYR . 21.1 pt -116.26 -29.6 2.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.441 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 1.075 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -156.59 127.99 7.06 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 121.42 -0.8 . . . . 0.0 110.516 -173.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.525 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -169.18 151.4 4.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.736 1.731 . . . . 0.0 113.282 -176.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.503 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 3.4 m-85 -121.61 110.57 16.16 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.451 172.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -135.52 108.75 7.76 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.371 -0.831 . . . . 0.0 111.185 -173.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.77 149.55 0.06 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.022 0.915 . . . . 0.0 110.695 -174.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.24 34.76 0.86 Allowed 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.699 173.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -113.09 -9.44 13.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 169.97 116.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.96 -174.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.486 HG22 ' CD2' ' A' ' 47' ' ' PHE . 77.8 p -116.99 172.6 7.15 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.879 0.847 . . . . 0.0 111.211 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' C ' ' HD1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -122.16 99.52 6.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.649 0.738 . . . . 0.0 110.946 -173.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -159.58 44.93 0.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.782 0.801 . . . . 0.0 111.046 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.53 24.07 2.4 Favored 'General case' 0 C--O 1.253 1.286 0 O-C-N 121.886 -0.509 . . . . 0.0 112.324 -172.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -165.28 132.1 2.87 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 120.916 -1.115 . . . . 0.0 111.221 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -33.11 74.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 70' ' ' ILE . 38.3 m -56.37 -13.93 2.57 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.96 -169.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.63 ' CE1' HG22 ' A' ' 70' ' ' ILE . 27.1 m-85 -148.95 84.42 1.46 Allowed 'General case' 0 C--O 1.253 1.254 0 O-C-N 121.202 -0.936 . . . . 0.0 110.592 172.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.49 154.6 29.03 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 120.774 -1.204 . . . . 0.0 112.231 -172.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 1.075 ' CD1' ' HB3' ' A' ' 45' ' ' ALA . 7.7 mp -93.23 177.65 5.98 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.831 0.824 . . . . 0.0 111.174 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.684 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 2.8 m-85 -138.91 174.59 10.36 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.986 0.898 . . . . 0.0 110.975 172.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -64.12 -39.03 93.17 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.419 -0.8 . . . . 0.0 110.983 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -89.3 19.56 4.31 Favored 'General case' 0 C--O 1.252 1.227 0 O-C-N 121.967 -0.458 . . . . 0.0 111.969 -175.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.565 ' HA3' HG23 ' A' ' 21' ' ' ILE . . . 77.49 18.44 77.77 Favored Glycine 0 C--O 1.251 1.167 0 O-C-N 120.859 -1.15 . . . . 0.0 112.66 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.442 HG21 ' O ' ' A' ' 19' ' ' LEU . 1.2 m -88.61 161.98 16.61 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.017 -1.284 . . . . 0.0 111.11 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.818 HD21 ' CD1' ' A' ' 19' ' ' LEU . 10.3 tt -127.23 148.72 50.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.826 . . . . 0.0 111.093 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.684 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -134.0 136.21 43.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.594 0.712 . . . . 0.0 110.908 -176.636 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.63 HG22 ' CE1' ' A' ' 60' ' ' TYR . 1.3 mt -126.97 117.64 48.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.522 0.677 . . . . 0.0 110.456 -173.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.5 mtpm? -86.97 132.32 33.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.505 1.145 . . . . 0.0 113.465 -172.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 55.24 92.81 0.03 OUTLIER 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.374 171.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.856 ' HB2' ' HB3' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -141.89 124.96 16.26 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 124.526 2.108 . . . . 0.0 115.751 -173.172 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.633 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -112.68 -162.09 0.78 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 120.303 -1.498 . . . . 0.0 111.197 172.288 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.452 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.8 m -46.17 -28.93 1.37 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.228 1.013 . . . . 0.0 112.798 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.58 -39.56 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.377 -176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.856 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 20.0 m-20 -80.13 -11.25 59.77 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.885 -0.509 . . . . 0.0 112.298 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -84.58 111.83 19.88 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.77 -1.206 . . . . 0.0 110.946 -172.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.478 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 3.6 m-20 -138.37 165.51 26.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.668 1.223 . . . . 0.0 111.761 -173.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.732 HG12 ' OD1' ' A' ' 99' ' ' ASP . 6.9 mt -86.81 139.98 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.696 175.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CA ' HG21 ' A' ' 38' ' ' THR . 20.4 m-85 -134.82 162.49 32.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.976 0.894 . . . . 0.0 111.01 -172.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -152.95 130.68 11.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.889 0.852 . . . . 0.0 110.818 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.978 HG13 ' HE1' ' A' ' 98' ' ' PHE . 10.4 p -100.69 121.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.648 1.213 . . . . 0.0 110.971 -173.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 p -119.86 114.44 22.1 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.177 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.94 ' CG2' HG22 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -125.33 117.97 51.26 Favored 'Isoleucine or valine' 0 C--O 1.252 1.199 0 O-C-N 121.932 -0.48 . . . . 0.0 109.847 -172.449 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.414 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -112.59 170.63 8.05 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 120.638 -1.289 . . . . 0.0 111.953 -167.399 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 4.7 p30 -84.83 -170.5 3.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.88 0.848 . . . . 0.0 110.934 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -26.16 62.52 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 121.771 -0.581 . . . . 0.0 112.319 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.98 2.53 55.03 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.963 -1.086 . . . . 0.0 112.895 -172.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.69 17.64 79.7 Favored Glycine 0 C--O 1.248 1.026 0 O-C-N 120.623 -1.298 . . . . 0.0 112.979 -174.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.546 ' O ' HG11 ' A' ' 93' ' ' VAL . 7.3 mmtt -90.5 121.98 32.93 Favored 'General case' 0 C--O 1.245 0.867 0 O-C-N 121.082 -1.246 . . . . 0.0 111.353 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.408 ' CA ' ' HD2' ' A' ' 86' ' ' TYR . 6.2 p-10 -62.25 98.9 0.12 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.241 1.019 . . . . 0.0 110.831 173.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 91' ' ' LYS . 3.0 m -92.94 -17.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.865 0.84 . . . . 0.0 112.627 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.796 HD21 ' O ' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -161.67 144.73 12.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.89 1.329 . . . . 0.0 110.98 173.389 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -138.21 160.16 40.17 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.57 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HD2' ' CG ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -171.03 139.62 1.42 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.905 0.86 . . . . 0.0 110.988 176.512 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -93.6 155.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.404 1.097 . . . . 0.0 111.193 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.978 ' HE1' HG13 ' A' ' 83' ' ' VAL . 28.0 m-85 -143.68 171.6 13.96 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.003 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.732 ' OD1' HG12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -163.82 102.84 0.9 Allowed 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.957 -1.089 . . . . 0.0 111.273 -172.795 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 1.0 HD21 HG22 ' A' ' 9' ' ' THR . 0.1 OUTLIER -72.36 128.83 36.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.269 1.033 . . . . 0.0 110.835 173.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -125.73 171.38 10.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.88 1.324 . . . . 0.0 111.298 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.853 HG23 ' CD1' ' A' ' 13' ' ' LEU . 4.5 mm -127.96 147.61 32.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.06 171.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -134.41 151.26 51.08 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.683 1.23 . . . . 0.0 112.075 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -144.51 60.05 1.33 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 123.259 1.504 . . . . 0.0 111.172 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 . . . . . 0 C--O 1.27 2.152 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.993 174.796 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . 0.439 ' H5 ' ' CD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . 0.455 ' C8 ' ' H3 ' ' A' ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . 0.407 ' H5 ' ' H1 ' ' A' ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . 0.407 ' H1 ' ' H5 ' ' A' ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . 0.455 ' H3 ' ' C8 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.542 ' HB2' ' HE2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.573 0 CA-C-O 121.967 0.889 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.52 165.96 10.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.913 0.863 . . . . 0.0 110.972 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.411 HG21 ' H ' ' A' ' 4' ' ' THR . 1.6 mp -143.42 165.77 14.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.939 0.876 . . . . 0.0 111.047 -174.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.411 ' H ' HG21 ' A' ' 3' ' ' ILE . 40.2 p -142.33 173.66 11.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.08 0.943 . . . . 0.0 111.116 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -146.04 47.48 1.23 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.151 0.977 . . . . 0.0 110.884 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.72 173.73 7.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.688 1.232 . . . . 0.0 111.171 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.764 HD11 ' CE2' ' A' ' 98' ' ' PHE . 8.0 mt -115.83 99.28 7.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.03 -173.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -54.92 99.9 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.937 0.875 . . . . 0.0 111.073 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.17 160.55 14.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.693 0.759 . . . . 0.0 110.826 -174.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -145.73 154.92 42.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.928 0.87 . . . . 0.0 111.454 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.4 -174.66 30.48 Favored Glycine 0 C--O 1.239 0.464 0 CA-C-O 122.493 1.052 . . . . 0.0 111.5 173.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.32 155.78 39.71 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.812 -0.817 . . . . 0.0 110.09 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.948 HD21 HG23 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -87.67 149.34 24.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 124.801 2.239 . . . . 0.0 113.61 -171.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.5 42.17 Favored Glycine 0 N--CA 1.464 0.528 0 CA-C-N 113.06 -1.882 . . . . 0.0 108.791 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -162.89 147.34 11.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 125.231 2.443 . . . . 0.0 116.999 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -80.1 144.15 33.35 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.585 -173.638 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.438 HG22 HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -159.36 148.18 7.17 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 CA-C-O 121.357 0.599 . . . . 0.0 110.684 173.318 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.48 161.71 13.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.908 1.337 . . . . 0.0 112.2 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.105 HD12 HD22 ' A' ' 68' ' ' LEU . 1.4 mp -104.84 104.39 14.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 123.3 1.524 . . . . 0.0 109.652 172.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.89 109.08 20.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.846 1.308 . . . . 0.0 111.636 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.921 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -70.08 165.56 41.94 Favored Pre-proline 0 C--O 1.24 0.561 0 CA-C-O 122.138 0.97 . . . . 0.0 111.605 177.19 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.921 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 22.6 Cg_exo -44.79 -174.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.343 1 C-N-CA 127.375 5.384 . . . . 0.0 116.072 174.442 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -87.25 29.59 0.84 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.324 -1.307 . . . . 0.0 112.702 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -84.08 140.95 31.48 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 121.601 -0.687 . . . . 0.0 109.964 171.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -129.94 108.32 10.03 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.118 -0.989 . . . . 0.0 112.117 -172.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.686 ' HE2' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -76.12 170.17 16.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.568 0.699 . . . . 0.0 110.705 172.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -156.49 -111.51 0.03 OUTLIER 'General case' 0 C--O 1.246 0.897 0 O-C-N 121.61 -0.681 . . . . 0.0 110.933 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -84.07 -51.87 6.75 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.466 -0.771 . . . . 0.0 112.521 -172.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.486 ' O ' HG21 ' A' ' 88' ' ' THR . 4.8 m-20 -68.64 -18.18 64.25 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 121.176 -0.953 . . . . 0.0 113.411 -172.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.546 HD11 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -87.98 128.64 40.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.384 -0.822 . . . . 0.0 110.881 -176.485 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -31.75 3.27 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -101.82 138.56 38.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.656 1.217 . . . . 0.0 110.848 -172.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.891 HG22 ' CG2' ' A' ' 85' ' ' ILE . 3.3 mt -143.66 147.69 19.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.034 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.502 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -155.88 140.63 17.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 123.545 1.64 . . . . 0.0 112.737 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.978 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 m95 -138.79 126.16 21.68 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.36 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -121.48 168.51 11.63 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.566 0.698 . . . . 0.0 110.707 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -95.4 84.21 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.754 HG21 ' C ' ' A' ' 81' ' ' TYR . 42.0 p -33.51 -45.59 0.17 Allowed 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -170.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -55.92 -59.32 5.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.671 0.748 . . . . 0.0 111.201 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.62 4.42 51.95 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.85 57.91 6.02 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.254 -173.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -119.6 99.75 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 123.011 1.386 . . . . 0.0 112.471 -172.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -43.31 127.79 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.7 1.238 . . . . 0.0 112.013 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.797 HD11 ' CD2' ' A' ' 60' ' ' TYR . 32.8 pt -127.64 -32.07 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.077 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.885 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.677 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . . . -157.52 135.14 10.59 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 121.116 -0.99 . . . . 0.0 110.477 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.436 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -169.33 146.64 3.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 123.84 1.781 . . . . 0.0 113.444 -178.361 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.61 120.14 38.42 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.333 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HB3' ' NE2' ' A' ' 46' ' ' GLN . 6.7 tpt180 -142.21 84.72 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.406 -0.809 . . . . 0.0 110.999 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.412 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 70.58 150.67 0.09 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.228 1.013 . . . . 0.0 110.199 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.04 37.95 0.79 Allowed 'General case' 0 C--O 1.251 1.159 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.448 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -118.78 -5.03 10.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 178.6 121.25 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.004 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.07 152.81 43.84 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.667 0.746 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' HB3' ' HG3' ' A' ' 46' ' ' GLN . 45.6 t80 -105.09 106.62 17.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.072 0.939 . . . . 0.0 111.356 -175.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -164.19 61.04 0.15 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.041 0.924 . . . . 0.0 110.797 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -32.32 73.68 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.8 -172.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.761 ' CG ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -153.64 162.62 41.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.083 0.944 . . . . 0.0 111.362 176.258 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.8 -3.4 38.13 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.515 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.761 HG23 ' CG ' ' A' ' 57' ' ' LYS . 9.4 t -57.94 -21.98 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.119 -0.988 . . . . 0.0 110.593 173.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.872 ' HE2' ' HE2' ' A' ' 81' ' ' TYR . 69.0 m-85 -150.45 83.83 1.36 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 121.561 -0.712 . . . . 0.0 111.039 171.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -104.54 144.46 31.66 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.309 -0.869 . . . . 0.0 111.157 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.801 HD11 ' H ' ' A' ' 63' ' ' PHE . 2.9 tp -100.27 144.07 29.72 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 123.077 0.551 . . . . 0.0 110.805 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.801 ' H ' HD11 ' A' ' 62' ' ' LEU . 2.8 m-30 -115.48 168.59 9.86 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.254 -0.903 . . . . 0.0 111.283 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.82 -34.38 78.23 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.773 0.797 . . . . 0.0 111.171 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -88.14 20.88 2.98 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 121.843 -0.535 . . . . 0.0 112.145 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.95 16.13 78.34 Favored Glycine 0 C--O 1.253 1.331 0 O-C-N 120.968 -1.083 . . . . 0.0 112.539 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.36 153.19 20.62 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 120.757 -1.437 . . . . 0.0 111.005 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 1.105 HD22 HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -132.25 111.42 11.38 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.559 -0.713 . . . . 0.0 111.301 178.082 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -93.26 136.45 33.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.623 1.201 . . . . 0.0 110.877 -174.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.99 HD13 HD13 ' A' ' 19' ' ' LEU . 5.3 mt -120.02 113.76 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.71 0.767 . . . . 0.0 109.686 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.4 OUTLIER -86.52 119.45 26.79 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -169.106 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.545 ' O ' HD22 ' A' ' 73' ' ' LEU . 34.2 t60 49.97 86.79 0.03 OUTLIER 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.382 1.073 . . . . 0.0 112.863 170.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 1.021 ' HB2' ' HB2' ' A' ' 77' ' ' ASP . 35.5 mt -157.78 167.47 29.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 125.339 2.495 . . . . 0.0 113.8 177.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.592 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -114.12 -134.86 0.35 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.271 1.828 . . . . 0.0 113.772 -169.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.0 m -61.27 -25.27 66.98 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.805 1.288 . . . . 0.0 110.64 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -69.12 -31.58 70.37 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 122.82 1.295 . . . . 0.0 110.77 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 1.021 ' HB2' ' HB2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -69.36 -23.47 63.76 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.921 173.075 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.781 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 3.3 tt0 -82.65 89.48 6.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.412 1.101 . . . . 0.0 110.96 -175.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.65 173.32 8.17 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 122.33 1.062 . . . . 0.0 110.887 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.731 HG22 ' OD2' ' A' ' 99' ' ' ASP . 1.2 mp -97.55 133.28 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.884 0.85 . . . . 0.0 110.368 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.872 ' HE2' ' HE2' ' A' ' 60' ' ' TYR . 32.2 m-85 -127.67 165.95 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.682 1.23 . . . . 0.0 111.968 -171.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.514 ' HB2' HG23 ' A' ' 38' ' ' THR . 10.3 ttmt -148.69 135.12 19.52 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.542 172.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.907 HG23 ' CD1' ' A' ' 85' ' ' ILE . 3.6 p -109.75 110.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.969 1.366 . . . . 0.0 110.838 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.518 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -116.28 123.06 46.75 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.216 179.455 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.907 ' CD1' HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -140.26 118.23 10.35 Favored 'Isoleucine or valine' 0 C--O 1.256 1.404 0 O-C-N 121.8 -0.562 . . . . 0.0 110.179 -172.061 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -126.24 166.32 17.32 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 120.284 -1.51 . . . . 0.0 110.521 -167.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.463 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -81.14 -171.38 3.21 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 -174.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.486 HG21 ' O ' ' A' ' 29' ' ' ASP . 6.5 p -54.66 -40.6 69.22 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 121.452 -0.78 . . . . 0.0 111.687 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -91.43 29.06 1.54 Allowed 'General case' 0 C--O 1.248 1.022 0 O-C-N 121.546 -0.721 . . . . 0.0 112.274 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.72 23.01 62.61 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 121.139 -0.976 . . . . 0.0 111.972 173.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -90.63 103.68 16.35 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.367 -1.078 . . . . 0.0 111.514 -177.613 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.25 99.8 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.005 0.907 . . . . 0.0 110.99 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.416 HG11 ' OD2' ' A' ' 87' ' ' ASP . 35.4 m -86.5 -28.76 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.608 1.194 . . . . 0.0 111.851 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.671 HD21 HD11 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -155.79 142.99 19.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.849 1.309 . . . . 0.0 111.636 175.482 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -146.32 134.26 21.37 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.833 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.763 ' CD ' ' HG2' ' A' ' 22' ' ' PRO . 21.6 mttt -148.76 165.78 30.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.499 0.666 . . . . 0.0 110.721 -174.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -120.79 157.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -173.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.764 ' CE2' HD11 ' A' ' 7' ' ' LEU . 7.5 m-85 -146.07 167.53 23.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.848 0.833 . . . . 0.0 111.397 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.731 ' OD2' HG22 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -159.33 95.76 1.26 Allowed 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.349 0.595 . . . . 0.0 111.024 175.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.738 ' CD1' HD11 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -67.22 151.06 48.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.92 0.867 . . . . 0.0 111.465 176.852 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.781 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 74.8 mttt -145.6 167.93 21.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.679 1.228 . . . . 0.0 111.94 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.948 HG23 HD21 ' A' ' 13' ' ' LEU . 8.7 mm -123.79 138.28 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 122.564 1.173 . . . . 0.0 109.508 171.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -99.76 147.79 25.08 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 122.81 1.291 . . . . 0.0 112.384 -171.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.05 88.44 0.03 OUTLIER 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.543 1.163 . . . . 0.0 110.932 175.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.27 2.174 0 CA-C-O 121.95 0.881 . . . . 0.0 111.121 -175.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . 0.492 ' H5 ' ' CD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.571 0 CA-C-O 121.938 0.875 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -129.3 107.91 9.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.836 0.827 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.474 HG23 HD11 ' A' ' 3' ' ' ILE . 2.4 mt -122.09 121.4 63.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.953 0.882 . . . . 0.0 110.977 178.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.1 p -133.75 170.95 14.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.0 0.905 . . . . 0.0 111.054 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.711 ' O ' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -155.61 49.03 0.53 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.837 0.827 . . . . 0.0 110.946 174.161 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.28 173.28 12.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.886 1.327 . . . . 0.0 111.632 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.056 HD11 ' CE2' ' A' ' 98' ' ' PHE . 28.2 mt -120.11 118.13 29.76 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 122.292 1.044 . . . . 0.0 110.873 -177.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.11 92.46 0.18 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.877 0.846 . . . . 0.0 110.903 173.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.619 ' HB ' HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -111.8 128.87 56.24 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 121.265 0.555 . . . . 0.0 110.36 -174.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.512 ' CZ2' ' HD2' ' A' ' 101' ' ' LYS . 85.8 m95 -129.93 164.64 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.442 1.115 . . . . 0.0 112.549 -171.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.51 166.52 35.4 Favored Glycine 0 C--O 1.239 0.461 0 CA-C-O 122.189 0.883 . . . . 0.0 111.717 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.822 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . . . -104.58 161.66 13.93 Favored 'General case' 0 C--O 1.253 1.264 0 O-C-N 121.722 -0.87 . . . . 0.0 110.48 172.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.82 ' CD1' HG23 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -74.31 126.34 30.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.935 1.35 . . . . 0.0 111.849 -172.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 36.34 28.89 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.822 ' NE2' ' HB2' ' A' ' 12' ' ' ALA . 6.3 tt0 -138.02 131.02 30.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 123.046 1.403 . . . . 0.0 112.584 -170.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -84.02 129.04 34.93 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.103 -173.699 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.554 ' CG2' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -133.39 158.02 42.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.774 0.797 . . . . 0.0 110.736 -178.24 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -115.27 137.37 52.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.083 0.944 . . . . 0.0 112.085 -173.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.083 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 1.9 mm? -81.61 111.46 17.92 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.817 171.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -100.18 111.03 23.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.894 1.33 . . . . 0.0 112.367 -170.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.834 ' CD1' HG13 ' A' ' 85' ' ' ILE . 8.9 tt -70.21 155.57 93.23 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.403 171.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.803 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 28.6 Cg_exo -45.5 -177.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.437 1 C-N-CA 126.875 5.05 . . . . 0.0 115.643 176.39 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.2 p -88.94 30.66 0.91 Allowed 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.257 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -105.87 124.73 50.05 Favored 'General case' 0 C--O 1.247 0.956 0 O-C-N 121.617 -0.677 . . . . 0.0 109.946 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.25 148.19 44.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.603 1.192 . . . . 0.0 111.358 -171.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.667 ' HB3' HG23 ' A' ' 30' ' ' ILE . 5.2 ptm -84.4 171.76 12.34 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 122.017 0.913 . . . . 0.0 111.057 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.9 p -157.7 -118.05 0.02 OUTLIER 'General case' 0 C--O 1.251 1.173 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.182 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.54 -14.58 51.92 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.984 -1.073 . . . . 0.0 112.366 -173.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.549 ' O ' HG21 ' A' ' 88' ' ' THR . 54.5 m-20 -101.04 -24.6 14.28 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.763 -1.211 . . . . 0.0 113.256 -173.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.667 HG23 ' HB3' ' A' ' 26' ' ' MET . 1.3 mt -86.79 145.48 7.58 Favored 'Isoleucine or valine' 0 C--O 1.247 0.965 0 O-C-N 121.76 -0.587 . . . . 0.0 110.755 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.37 -38.68 1.18 Allowed 'General case' 0 C--O 1.258 1.504 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 85' ' ' ILE . 4.6 t70 -105.98 145.99 30.64 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 120.567 -1.333 . . . . 0.0 112.094 -171.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.927 ' HA ' HG22 ' A' ' 85' ' ' ILE . 17.2 mt -143.5 102.03 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.441 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 8.3 mmmt -114.32 149.29 36.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.233 1.492 . . . . 0.0 112.229 -173.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 1.083 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 37.6 m95 -141.72 129.91 22.19 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.288 172.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.82 168.56 11.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.807 0.813 . . . . 0.0 111.656 -173.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 40' ' ' ASP . 6.3 ttpt -97.08 108.49 21.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.395 173.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 1.094 ' CG2' HG21 ' A' ' 80' ' ' ILE . 5.0 p -46.9 -49.96 19.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.802 0.81 . . . . 0.0 112.186 -171.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 t -52.58 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.827 . . . . 0.0 111.59 -173.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -77.92 3.36 14.75 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.686 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HB2' ' HE2' ' A' ' 41' ' ' LYS . 4.4 mtpt 56.32 67.13 1.04 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.012 1.387 . . . . 0.0 110.24 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.65 104.55 6.41 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.615 -1.175 . . . . 0.0 113.486 -172.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -41.11 150.53 0.08 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.174 0.988 . . . . 0.0 112.295 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.485 HD11 ' CD2' ' A' ' 60' ' ' TYR . 4.8 pt -147.88 -48.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.886 0.851 . . . . 0.0 111.036 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.916 ' HB3' ' HG ' ' A' ' 62' ' ' LEU . . . -129.55 125.19 35.69 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -154.72 142.77 20.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.74 1.733 . . . . 0.0 113.158 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.587 ' HD1' HD11 ' A' ' 62' ' ' LEU . 2.0 m-85 -125.89 123.5 38.77 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.396 172.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.804 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -141.77 116.29 9.62 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 121.318 -0.864 . . . . 0.0 111.527 -173.076 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.26 159.87 0.18 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.901 . . . . 0.0 109.58 -176.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 8.6 pt-20 -71.53 7.57 1.38 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.802 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 1.4 mmtp -159.99 122.1 3.31 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.279 1.032 . . . . 0.0 109.684 168.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.804 ' HB3' ' O ' ' A' ' 48' ' ' ARG . 1.0 OUTLIER 143.66 76.27 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.963 1.305 . . . . 0.0 109.772 -169.609 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -103.77 139.15 39.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.839 1.304 . . . . 0.0 113.174 -171.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -128.82 85.67 2.35 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.909 171.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 15.73 0.47 Allowed 'General case' 0 C--O 1.261 1.703 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -170.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.2 72.48 7.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 120.535 1.516 . . . . 0.0 111.291 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.693 ' CG ' HG23 ' A' ' 59' ' ' THR . 0.6 OUTLIER 179.68 108.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.719 -0.613 . . . . 0.0 110.892 -174.41 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.14 0.972 . . . . 0.0 112.096 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.739 HG21 ' HD1' ' A' ' 60' ' ' TYR . 14.6 t -60.51 -15.25 25.34 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.626 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.866 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 68.2 m-85 -150.57 90.86 1.68 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.225 -0.922 . . . . 0.0 111.221 171.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -101.1 161.18 13.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.665 1.221 . . . . 0.0 111.629 -174.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.916 ' HG ' ' HB3' ' A' ' 45' ' ' ALA . 12.3 mt -107.57 151.68 25.28 Favored 'General case' 0 C--O 1.252 1.209 0 C-N-CA 123.779 0.832 . . . . 0.0 110.6 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.801 ' CD2' HG23 ' A' ' 67' ' ' THR . 22.6 m-30 -130.84 170.81 13.91 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.914 -1.116 . . . . 0.0 111.451 174.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HE3' ' HE1' ' A' ' 26' ' ' MET . 0.6 OUTLIER -66.22 -54.52 24.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.034 0.921 . . . . 0.0 111.18 -175.194 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -53.27 -21.57 5.67 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.928 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.19 24.76 10.04 Favored Glycine 0 C--O 1.245 0.806 0 O-C-N 121.099 -1.0 . . . . 0.0 111.851 -173.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.801 HG23 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.3 148.52 22.82 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.39 -1.064 . . . . 0.0 110.956 173.488 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 1.015 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 6.7 tp -105.84 154.86 19.94 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.301 0.572 . . . . 0.0 110.609 173.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -133.85 124.51 26.62 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.522 -0.736 . . . . 0.0 110.968 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.776 HD13 HD22 ' A' ' 19' ' ' LEU . 4.4 mt -117.97 110.56 31.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.154 0.978 . . . . 0.0 110.483 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.9 tttm -81.04 141.18 34.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 123.058 1.408 . . . . 0.0 113.426 -172.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 49.57 79.17 0.08 Allowed 'General case' 0 C--O 1.25 1.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.444 172.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -122.2 119.07 30.17 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.098 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.568 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -107.21 -162.79 0.86 Allowed 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.882 1.273 . . . . 0.0 110.518 169.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.441 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.6 m -49.76 -27.21 4.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.204 1.002 . . . . 0.0 112.477 176.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -38.38 49.97 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.389 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.835 ' HB3' HD11 ' A' ' 73' ' ' LEU . 1.5 m-20 -77.61 -12.47 59.97 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.378 -0.826 . . . . 0.0 112.01 174.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.525 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -74.52 102.97 4.68 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.772 -1.205 . . . . 0.0 110.91 -176.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.2 176.06 8.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.335 1.064 . . . . 0.0 111.098 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 1.094 HG21 ' CG2' ' A' ' 38' ' ' THR . 31.9 mt -101.26 142.59 15.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.54 0.686 . . . . 0.0 110.137 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.974 ' HE2' ' HB2' ' A' ' 100' ' ' LEU . 33.5 m-85 -137.26 170.96 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.954 0.883 . . . . 0.0 111.426 -171.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.845 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 24.7 ttpt -156.37 155.36 32.05 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 173.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 1.097 HG13 ' HE1' ' A' ' 98' ' ' PHE . 12.0 p -129.31 128.85 66.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.587 1.184 . . . . 0.0 111.227 -174.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.609 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 35.0 p -133.56 103.66 6.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.899 0.857 . . . . 0.0 110.296 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.927 HG22 ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -112.69 113.97 45.66 Favored 'Isoleucine or valine' 0 C--O 1.25 1.129 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.207 -172.521 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.803 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -109.62 167.48 10.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.103 1.43 . . . . 0.0 112.505 -169.325 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.636 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 14.9 p-10 -86.02 -165.23 1.19 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.463 1.125 . . . . 0.0 110.933 177.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.549 HG21 ' O ' ' A' ' 29' ' ' ASP . 60.0 p -62.59 -33.11 74.32 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.502 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -90.83 23.01 3.3 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 121.474 -0.766 . . . . 0.0 112.22 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.65 54.24 Favored Glycine 0 C--O 1.249 1.065 0 O-C-N 121.056 -1.027 . . . . 0.0 111.76 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.636 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 3.4 mtpp -86.06 113.59 22.25 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.161 -1.199 . . . . 0.0 110.987 -177.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.803 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -61.1 91.62 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.712 1.244 . . . . 0.0 110.771 175.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.572 HG22 HD13 ' A' ' 30' ' ' ILE . 17.3 m -69.6 -33.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 122.849 1.309 . . . . 0.0 110.835 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.586 HD23 ' HG2' ' A' ' 22' ' ' PRO . 12.3 tp -149.44 145.6 27.01 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 123.13 1.443 . . . . 0.0 111.446 173.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -138.01 155.73 48.54 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.542 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.845 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 tptt -167.47 154.27 8.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.414 1.102 . . . . 0.0 111.391 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.711 HD11 ' O ' ' A' ' 5' ' ' ASN . 1.5 mt -112.91 141.3 28.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.803 -174.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.097 ' HE1' HG13 ' A' ' 83' ' ' VAL . 11.2 m-85 -128.66 163.02 25.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.025 0.917 . . . . 0.0 111.414 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.14 108.02 3.36 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.741 0.781 . . . . 0.0 110.88 173.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.974 ' HB2' ' HE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -72.53 149.09 44.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.871 0.843 . . . . 0.0 110.857 178.602 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.525 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 2.5 mttp -139.85 163.54 32.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.762 1.268 . . . . 0.0 112.053 -173.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.82 HG23 ' CD1' ' A' ' 13' ' ' LEU . 27.6 mm -124.22 145.72 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.307 169.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.576 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -125.55 158.37 34.75 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.203 1.002 . . . . 0.0 111.347 -171.668 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.576 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -157.59 81.14 0.88 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 123.253 1.501 . . . . 0.0 110.67 -173.206 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 . . . . . 0 C--O 1.27 2.165 0 CA-C-N 114.805 -1.088 . . . . 0.0 111.009 -175.334 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' NAG . . . . . 0.407 ' H62' ' N2 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' NAG . . . . . 0.407 ' N2 ' ' H62' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.239 0.528 0 CA-C-O 122.844 1.307 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.58 174.37 7.31 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 123.067 1.413 . . . . 0.0 112.164 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.906 HD12 ' CE2' ' A' ' 98' ' ' PHE . 13.2 mt -107.06 111.9 24.57 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.42 1.105 . . . . 0.0 110.983 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.78 91.61 0.01 OUTLIER 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.925 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.834 HG22 ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -99.01 137.36 37.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.769 0.795 . . . . 0.0 110.55 -173.783 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -127.64 161.77 28.08 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.063 0.935 . . . . 0.0 111.544 -172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.17 -159.57 9.48 Favored Glycine 0 C--O 1.239 0.441 0 CA-C-O 122.482 1.046 . . . . 0.0 111.548 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -157.58 150.66 23.37 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 121.844 -0.798 . . . . 0.0 110.316 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.957 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.4 mp -65.3 133.76 52.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.764 1.268 . . . . 0.0 111.158 -172.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.89 43.67 10.95 Favored Glycine 0 C--O 1.251 1.197 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.094 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.65 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -132.57 -179.18 5.3 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 123.437 1.589 . . . . 0.0 110.955 -173.402 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.851 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -136.54 128.64 29.64 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.335 1.064 . . . . 0.0 110.106 172.666 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 100' ' ' LEU . 7.7 tp -126.62 168.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.986 0.898 . . . . 0.0 112.105 -170.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.457 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -128.55 -177.69 4.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.159 1.457 . . . . 0.0 111.613 -175.823 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.83 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.9 OUTLIER -140.32 89.67 2.3 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.324 -176.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.91 105.77 17.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 110.454 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.026 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -98.75 -48.12 0.22 Allowed Pre-proline 0 C--O 1.245 0.858 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -171.521 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 1.026 ' HD3' HG23 ' A' ' 21' ' ' ILE . 86.2 Cg_exo -52.7 113.42 1.23 Allowed 'Trans proline' 0 N--CA 1.529 3.58 1 C-N-CA 126.123 4.549 . . . . 0.0 117.48 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -94.67 16.25 16.13 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.43 1.092 . . . . 0.0 110.945 170.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -167.08 178.29 5.78 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.032 0.92 . . . . 0.0 111.445 -168.175 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.47 76.69 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.797 1.284 . . . . 0.0 111.868 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.402 ' HG3' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -76.93 161.32 28.48 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.407 172.337 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 p -167.01 -50.69 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.856 1.312 . . . . 0.0 113.303 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -75.6 -27.27 58.45 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 114.836 -1.075 . . . . 0.0 113.205 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.9 7.55 9.32 Favored 'General case' 0 C--O 1.258 1.536 0 O-C-N 121.036 -1.04 . . . . 0.0 113.18 -171.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.628 HD13 ' N ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -88.67 158.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 120.613 -1.304 . . . . 0.0 111.336 -174.196 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.628 ' N ' HD13 ' A' ' 30' ' ' ILE . 15.5 t70 -133.26 -63.38 0.76 Allowed 'General case' 0 C--O 1.254 1.338 0 O-C-N 121.546 -0.721 . . . . 0.0 112.917 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.782 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -105.02 142.22 35.19 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.466 1.603 . . . . 0.0 113.279 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.9 ' HA ' HG23 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -126.2 124.54 66.03 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.273 172.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.748 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 26.4 tttp -130.58 147.11 52.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.195 1.474 . . . . 0.0 112.558 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.83 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 57.1 m95 -142.95 127.19 17.59 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.348 172.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.77 162.49 17.22 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-O 121.166 0.508 . . . . 0.0 110.811 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 2.6 ttmt -96.34 89.02 4.93 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.554 -0.716 . . . . 0.0 109.759 173.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 80' ' ' ILE . 44.1 p -49.77 -28.19 5.91 Favored 'General case' 0 C--O 1.251 1.168 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -169.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -55.83 -47.05 77.9 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.112 -0.992 . . . . 0.0 111.286 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -134.67 30.84 3.42 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.563 -0.711 . . . . 0.0 112.049 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 7.0 pttp 48.17 57.64 5.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.611 1.196 . . . . 0.0 110.481 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.73 108.39 14.36 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 122.633 1.206 . . . . 0.0 112.114 -172.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.07 130.4 6.03 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 122.102 0.953 . . . . 0.0 112.005 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.789 HD12 ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -120.93 -36.03 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.266 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.0 153.48 33.01 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.574 -0.704 . . . . 0.0 110.639 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.748 ' HG3' ' HG3' ' A' ' 34' ' ' LYS . 1.3 tt0 -164.33 158.61 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 123.872 1.796 . . . . 0.0 113.454 173.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HD2' HD13 ' A' ' 62' ' ' LEU . 3.0 m-85 -133.39 129.53 37.5 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.423 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.62 56.77 1.7 Allowed 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.429 -0.794 . . . . 0.0 110.91 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.03 173.7 0.29 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.082 1.42 . . . . 0.0 109.198 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.69 36.87 0.45 Allowed 'General case' 0 C--O 1.25 1.11 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -120.77 -8.53 9.44 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -177.92 85.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.149 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 t -126.71 149.79 49.39 Favored 'General case' 0 C--O 1.265 1.89 0 C-N-CA 123.455 0.702 . . . . 0.0 109.604 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.621 ' HE1' ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -152.4 156.83 40.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 124.546 2.117 . . . . 0.0 114.625 -171.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -161.22 100.6 1.22 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.326 173.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.07 -48.08 22.63 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.777 ' HB2' HG22 ' A' ' 59' ' ' THR . 7.7 mtpt -151.6 176.75 11.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.171 0.986 . . . . 0.0 110.782 -173.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -29.64 70.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.806 0.812 . . . . 0.0 112.193 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.777 HG22 ' HB2' ' A' ' 57' ' ' LYS . 9.0 t -50.79 -21.73 1.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.073 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.789 ' CE2' HD12 ' A' ' 44' ' ' ILE . 35.8 m-85 -147.98 99.31 3.06 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 111.41 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.836 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.1 mtmm -98.86 151.2 21.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.897 0.856 . . . . 0.0 111.734 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.593 HD21 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.51 120.31 38.34 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 123.783 0.833 . . . . 0.0 109.518 172.004 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 1.096 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 99.1 m-85 -105.49 179.15 4.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 123.385 1.564 . . . . 0.0 113.06 -171.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -72.84 -54.31 9.12 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.168 -175.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 22' ' ' PRO . 24.6 p30 -61.99 -9.01 6.04 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.584 -0.698 . . . . 0.0 111.22 173.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.55 8.69 54.36 Favored Glycine 0 C--O 1.25 1.15 0 O-C-N 120.924 -1.11 . . . . 0.0 112.653 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.555 ' O ' ' HD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.05 153.82 34.03 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 119.326 1.563 . . . . 0.0 110.719 177.408 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 61' ' ' LYS . 9.1 tp -114.57 118.49 33.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.264 1.031 . . . . 0.0 111.232 174.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 1.096 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -90.08 162.93 15.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.969 0.89 . . . . 0.0 111.134 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 59' ' ' THR . 2.4 mt -149.3 123.72 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.248 0.998 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.742 173.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 149.63 21.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.57 -0.706 . . . . 0.0 111.389 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.793 ' C ' HD22 ' A' ' 73' ' ' LEU . 22.2 t60 61.79 110.57 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.425 1.583 . . . . 0.0 110.989 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.066 HD12 HD21 ' A' ' 100' ' ' LEU . 3.0 mm? -135.48 70.16 1.43 Allowed 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -170.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.471 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.6 -171.03 2.38 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.876 0.846 . . . . 0.0 110.454 171.101 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 m -52.76 -28.28 21.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.411 1.101 . . . . 0.0 112.28 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -42.33 47.71 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.219 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.0 10.4 14.27 Favored 'General case' 0 C--O 1.254 1.308 0 O-C-N 121.619 -0.675 . . . . 0.0 112.094 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.7 116.57 28.91 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.794 -1.191 . . . . 0.0 111.072 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -143.04 -172.13 3.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.285 1.04 . . . . 0.0 111.529 -173.555 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.512 HG22 ' OG1' ' A' ' 38' ' ' THR . 1.9 mp -110.51 143.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.606 1.193 . . . . 0.0 110.115 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.692 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -138.29 167.82 21.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.776 0.798 . . . . 0.0 110.724 -171.027 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.818 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 37.6 tttt -157.45 151.59 24.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.63 0.729 . . . . 0.0 110.605 173.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.051 HG12 ' CE1' ' A' ' 98' ' ' PHE . 11.4 p -124.69 129.35 73.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 122.482 1.134 . . . . 0.0 111.108 -178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.71 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 58.7 p -127.62 106.35 9.1 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.931 173.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.9 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.99 106.64 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 122.207 1.003 . . . . 0.0 110.03 -171.781 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.71 ' HE1' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -98.8 158.57 15.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.468 1.127 . . . . 0.0 112.62 -167.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.881 ' HB3' HG11 ' A' ' 93' ' ' VAL . 38.6 p-10 -87.97 -164.8 1.16 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 122.144 0.973 . . . . 0.0 110.895 174.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.5 p -73.93 -32.61 63.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.878 0.847 . . . . 0.0 111.056 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.09 -11.46 39.97 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.666 -0.646 . . . . 0.0 112.036 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.54 14.77 79.46 Favored Glycine 0 C--O 1.25 1.147 0 O-C-N 120.794 -1.191 . . . . 0.0 112.354 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -84.8 155.58 21.74 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.893 -1.357 . . . . 0.0 111.487 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -83.89 76.22 10.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.84 0.828 . . . . 0.0 110.345 172.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.881 HG11 ' HB3' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -60.08 -19.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.886 0.851 . . . . 0.0 112.373 -173.123 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 21' ' ' ILE . 9.1 tp -163.73 141.28 7.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.636 1.208 . . . . 0.0 110.72 172.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.82 145.55 31.68 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.515 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.818 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -161.81 155.93 22.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.183 0.992 . . . . 0.0 111.264 -174.725 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.3 mt -119.35 136.34 56.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.177 0.989 . . . . 0.0 110.717 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 1.051 ' CE1' HG12 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -126.59 167.05 16.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.835 0.826 . . . . 0.0 111.308 -173.825 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.39 103.1 1.77 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.049 0.928 . . . . 0.0 110.832 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.066 HD21 HD12 ' A' ' 73' ' ' LEU . 15.9 tp -73.51 135.78 44.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.183 0.992 . . . . 0.0 111.219 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -126.43 169.04 13.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.13 0.967 . . . . 0.0 111.434 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.957 HG21 ' CD1' ' A' ' 13' ' ' LEU . 6.4 mm -122.83 143.84 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.174 0.988 . . . . 0.0 110.142 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 122.571 1.177 . . . . 0.0 111.872 -171.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.522 0 CA-C-O 122.427 1.108 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.5 169.59 11.72 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.029 0.918 . . . . 0.0 111.365 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.903 HD23 ' CD2' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -115.44 108.77 16.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.332 1.063 . . . . 0.0 110.714 -177.148 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 101.51 4.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.031 0.92 . . . . 0.0 110.953 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.824 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -105.51 125.7 51.29 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.944 -175.599 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -122.37 147.74 45.92 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.348 -0.845 . . . . 0.0 111.753 -172.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.7 170.2 36.57 Favored Glycine 0 C--O 1.239 0.466 0 O-C-N 121.202 -0.936 . . . . 0.0 111.941 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.66 156.02 17.91 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 121.679 -0.895 . . . . 0.0 110.087 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.98 163.31 28.06 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.06 1.41 . . . . 0.0 110.31 -171.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 37.31 28.77 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.115 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 6.6 tt0 -124.14 -174.39 2.99 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 124.208 1.956 . . . . 0.0 112.601 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' H ' ' HG2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -146.18 118.23 8.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.111 170.321 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.573 HG21 HD21 ' A' ' 100' ' ' LEU . 7.3 tp -123.48 165.65 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.781 1.277 . . . . 0.0 112.718 -169.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -122.05 124.37 43.79 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 122.174 0.988 . . . . 0.0 111.714 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.094 HD11 ' CD2' ' A' ' 81' ' ' TYR . 2.9 mt -80.31 102.58 9.62 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.678 0.751 . . . . 0.0 110.339 171.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.39 -155.58 0.39 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.646 0.736 . . . . 0.0 110.969 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.074 HD12 ' HD2' ' A' ' 22' ' ' PRO . 7.0 tp -165.57 154.63 10.81 Favored Pre-proline 0 C--O 1.245 0.83 0 CA-C-O 121.411 0.624 . . . . 0.0 110.954 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 1.074 ' HD2' HD12 ' A' ' 21' ' ' ILE . 8.4 Cg_endo -45.82 179.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.487 1 C-N-CA 127.002 5.135 . . . . 0.0 114.417 173.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 p -88.57 30.85 0.87 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.431 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.38 150.88 22.15 Favored 'General case' 0 C--O 1.246 0.906 0 O-C-N 121.572 -0.705 . . . . 0.0 110.455 172.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -147.96 146.85 29.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.123 0.963 . . . . 0.0 111.342 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.9 ptm -53.12 161.01 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.946 0.879 . . . . 0.0 110.938 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -169.96 -92.48 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.398 1.094 . . . . 0.0 111.157 -173.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -76.36 0.08 Allowed 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.912 -172.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.606 ' O ' HG23 ' A' ' 88' ' ' THR . 67.4 m-20 -138.0 21.89 2.83 Favored 'General case' 0 C--O 1.253 1.272 0 O-C-N 121.053 -1.029 . . . . 0.0 112.764 -172.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -69.28 127.53 31.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 121.052 -1.03 . . . . 0.0 110.459 173.32 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.685 ' CG ' HG22 ' A' ' 88' ' ' THR . 0.1 OUTLIER -134.03 -28.22 1.37 Allowed 'General case' 0 C--O 1.26 1.643 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.45 149.43 32.6 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.549 -1.344 . . . . 0.0 112.002 -171.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.047 HG23 HG23 ' A' ' 85' ' ' ILE . 1.4 mt -133.2 156.97 42.59 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 172.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -150.49 136.01 18.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 123.274 1.512 . . . . 0.0 111.96 173.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.772 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.8 m95 -134.74 130.7 36.62 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.657 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 173.7 11.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.824 0.821 . . . . 0.0 111.105 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -90.76 106.81 18.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 1.133 HG21 HG22 ' A' ' 80' ' ' ILE . 2.2 p -39.04 -53.98 1.74 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -169.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -69.44 -52.22 28.82 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.521 -0.737 . . . . 0.0 112.86 -171.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.791 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 1.3 t0 -99.63 15.8 25.52 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 121.234 -0.916 . . . . 0.0 113.378 -171.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.791 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 8.2 pttt 49.57 58.52 5.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 123.073 1.416 . . . . 0.0 110.196 173.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.67 89.33 3.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.963 1.363 . . . . 0.0 111.86 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -50.02 113.45 0.86 Allowed 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.942 0.877 . . . . 0.0 110.957 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -118.49 -9.39 11.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.867 175.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.928 ' HB1' HD23 ' A' ' 62' ' ' LEU . . . -157.14 131.78 8.68 Favored 'General case' 0 C--O 1.254 1.292 0 O-C-N 120.847 -1.158 . . . . 0.0 110.472 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -159.86 146.45 16.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 123.324 1.535 . . . . 0.0 112.962 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.668 ' CE1' HG22 ' A' ' 53' ' ' THR . 1.6 m-85 -122.09 140.57 52.36 Favored 'General case' 0 C--O 1.244 0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.59 172.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -161.92 113.63 1.7 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.454 -0.778 . . . . 0.0 111.248 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm 66.8 154.44 0.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.738 1.256 . . . . 0.0 110.452 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.54 33.4 0.7 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.073 174.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -7.31 15.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 175.13 160.47 0.22 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.29 -178.343 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.668 HG22 ' CE1' ' A' ' 47' ' ' PHE . 60.9 p -127.56 154.63 44.95 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.721 0.772 . . . . 0.0 111.144 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -112.48 104.72 12.84 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.788 0.804 . . . . 0.0 111.28 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.63 118.16 2.45 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.939 0.876 . . . . 0.0 111.008 174.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -69.45 -53.38 19.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.923 0.868 . . . . 0.0 110.785 177.305 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.614 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -148.65 169.63 19.94 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.446 0.641 . . . . 0.0 110.643 -175.13 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.05 -18.59 63.3 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.503 -0.748 . . . . 0.0 112.679 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.727 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.3 t -51.71 -23.86 5.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.846 0.831 . . . . 0.0 110.766 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.536 ' CD1' HG12 ' A' ' 70' ' ' ILE . 31.2 m-85 -148.41 83.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.707 0.765 . . . . 0.0 110.812 172.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.603 ' HE2' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -113.86 152.1 31.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.283 1.516 . . . . 0.0 112.028 -172.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.928 HD23 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -98.9 150.42 21.93 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.812 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.603 ' HE1' ' HE2' ' A' ' 61' ' ' LYS . 17.7 m-30 -120.08 158.15 27.46 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 110.5 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -26.59 68.31 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 121.824 -0.547 . . . . 0.0 111.518 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -93.6 25.82 3.33 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.26 -0.9 . . . . 0.0 111.951 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.79 4.2 65.75 Favored Glycine 0 C--O 1.254 1.37 0 O-C-N 121.168 -0.957 . . . . 0.0 112.851 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -90.85 134.57 34.35 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.252 1.526 . . . . 0.0 111.699 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.889 HD23 ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -100.98 150.38 22.95 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.554 171.218 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.889 ' N ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -131.24 142.7 50.2 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.063 -1.023 . . . . 0.0 110.968 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 59' ' ' THR . 2.8 mt -125.85 117.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.801 0.81 . . . . 0.0 110.658 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -87.7 149.84 23.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.827 -0.546 . . . . 0.0 110.662 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.0 t60 62.07 117.62 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.802 1.286 . . . . 0.0 110.491 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.687 HD23 HD11 ' A' ' 100' ' ' LEU . 3.3 tm? -143.43 81.34 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.179 -0.951 . . . . 0.0 112.16 -168.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.42 -170.56 1.75 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.755 1.264 . . . . 0.0 110.261 170.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.412 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.8 m -47.87 -28.58 2.7 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.731 171.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.17 -47.63 14.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.789 0.804 . . . . 0.0 111.265 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.84 2.66 22.31 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.8 -0.562 . . . . 0.0 112.115 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.692 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -82.78 113.48 20.45 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.749 -1.219 . . . . 0.0 111.405 175.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -139.28 167.51 21.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.893 0.854 . . . . 0.0 111.195 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.133 HG22 HG21 ' A' ' 38' ' ' THR . 8.1 mt -86.04 148.65 4.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.533 0.682 . . . . 0.0 110.668 173.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 1.094 ' CD2' HD11 ' A' ' 19' ' ' LEU . 46.9 m-85 -141.87 155.95 45.52 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 112.066 -172.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -144.46 128.54 17.59 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.714 177.386 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.011 HG22 ' CD1' ' A' ' 85' ' ' ILE . 4.2 p -108.91 116.34 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.887 1.327 . . . . 0.0 111.717 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -116.03 123.15 47.26 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 123.814 0.846 . . . . 0.0 109.911 172.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.047 HG23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -130.72 117.85 40.08 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -173.632 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -114.47 -178.97 3.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 123.3 1.524 . . . . 0.0 113.541 -166.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.71 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 1.5 p30 -98.95 -176.99 3.49 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 122.473 1.13 . . . . 0.0 111.091 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.685 HG22 ' CG ' ' A' ' 31' ' ' ASP . 26.3 p -64.34 -32.58 74.24 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.416 -173.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -95.15 39.5 1.11 Allowed 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.062 -1.024 . . . . 0.0 112.713 -171.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.24 32.17 57.03 Favored Glycine 0 C--O 1.24 0.491 0 O-C-N 121.278 -0.889 . . . . 0.0 111.544 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.71 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 4.0 mmtt -87.47 -170.21 2.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.448 1.594 . . . . 0.0 111.454 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 108.74 5.28 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.458 170.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.4 m -98.54 -35.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.452 1.12 . . . . 0.0 112.333 -172.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.984 HD23 HD13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -146.08 147.74 31.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.177 -174.029 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.8 pt-20 -157.67 145.0 18.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.788 0.804 . . . . 0.0 110.886 -174.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.602 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -154.69 167.03 31.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.09 0.948 . . . . 0.0 111.289 -173.808 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.69 ' C ' ' HD1' ' A' ' 98' ' ' PHE . 3.2 mt -124.99 141.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 122.397 1.094 . . . . 0.0 111.061 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.903 ' CD2' HD23 ' A' ' 7' ' ' LEU . 2.8 m-85 -137.61 176.85 8.34 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.514 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.499 ' OD1' HG12 ' A' ' 80' ' ' ILE . 3.3 t0 -167.32 111.28 0.7 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.144 -0.973 . . . . 0.0 111.407 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.896 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -85.5 120.43 26.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.286 1.041 . . . . 0.0 110.994 176.6 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.692 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 51.0 mttt -121.62 166.58 14.02 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 123.501 1.619 . . . . 0.0 112.574 -173.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.639 HD11 HD13 ' A' ' 73' ' ' LEU . 1.2 mm -134.81 147.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.463 169.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.764 0 CA-C-O 122.547 1.165 . . . . 0.0 111.852 -171.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.237 0.425 0 CA-C-O 123.576 1.655 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.63 174.35 6.12 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.387 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.737 HD23 ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -134.54 110.28 9.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.726 -174.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.22 91.93 0.03 OUTLIER 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.782 0.801 . . . . 0.0 110.887 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.58 118.91 37.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.703 0.763 . . . . 0.0 110.322 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -110.69 158.8 18.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.171 0.986 . . . . 0.0 112.27 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.35 146.07 12.06 Favored Glycine 0 C--O 1.243 0.713 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.501 ' HB3' ' OE1' ' A' ' 15' ' ' GLN . . . -92.76 156.11 17.23 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.654 -0.91 . . . . 0.0 110.602 173.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.725 HD12 ' CG2' ' A' ' 102' ' ' ILE . 2.2 mp -64.95 135.4 55.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.727 1.251 . . . . 0.0 111.365 -173.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.67 37.6 30.0 Favored Glycine 0 C--O 1.26 1.769 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.235 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.701 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -133.19 131.0 39.87 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 119.537 1.669 . . . . 0.0 111.912 -171.745 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.63 140.12 35.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.867 0.841 . . . . 0.0 110.359 173.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pt -142.36 -179.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 123.449 1.595 . . . . 0.0 112.877 -170.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -123.56 150.83 43.57 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.037 1.399 . . . . 0.0 112.268 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.088 HD13 ' CZ3' ' A' ' 35' ' ' TRP . 13.1 mt -103.45 119.56 39.12 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.442 172.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.55 117.44 34.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.487 1.613 . . . . 0.0 111.042 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.613 HG21 ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -81.13 164.42 50.42 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.601 -177.332 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.862 ' CG ' HD21 ' A' ' 94' ' ' LEU . 11.1 Cg_endo -48.51 -177.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.382 1 C-N-CA 127.522 5.482 . . . . 0.0 115.022 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -88.97 31.07 0.88 Allowed 'General case' 0 C--O 1.244 0.802 0 CA-C-N 114.484 -1.235 . . . . 0.0 112.145 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -102.23 149.99 23.75 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.52 -0.738 . . . . 0.0 110.594 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.64 124.06 27.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.83 . . . . 0.0 111.113 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.44 ' HB2' ' CG2' ' A' ' 30' ' ' ILE . 12.3 ptm -79.6 167.99 19.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.86 0.838 . . . . 0.0 111.039 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 t -172.2 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.493 1.139 . . . . 0.0 111.18 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -87.92 -27.41 22.16 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.704 -172.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -108.69 -29.4 8.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.552 -1.342 . . . . 0.0 113.843 -171.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.44 ' CG2' ' HB2' ' A' ' 26' ' ' MET . 0.6 OUTLIER -85.88 144.12 10.16 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 122.0 -0.438 . . . . 0.0 110.63 -176.003 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.87 -37.01 0.82 Allowed 'General case' 0 C--O 1.258 1.549 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -172.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.806 ' O ' HD13 ' A' ' 33' ' ' ILE . 92.6 m-20 -113.71 157.17 22.55 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.284 1.516 . . . . 0.0 111.677 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.97 HG23 ' CG2' ' A' ' 85' ' ' ILE . 1.1 mm -147.2 123.81 3.04 Favored 'Isoleucine or valine' 0 C--O 1.259 1.553 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.112 -174.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.4 138.94 50.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.93 1.824 . . . . 0.0 111.87 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 1.088 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 51.0 m95 -130.35 145.52 51.8 Favored 'General case' 0 C--O 1.25 1.121 0 C-N-CA 124.672 1.189 . . . . 0.0 109.928 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.55 163.35 33.15 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 121.332 -0.855 . . . . 0.0 110.736 -174.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.911 ' HG2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -100.79 97.26 7.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.585 1.183 . . . . 0.0 109.325 176.245 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.626 ' CG2' HG22 ' A' ' 80' ' ' ILE . 1.2 p -47.43 -30.62 3.48 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.82 -171.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -51.16 -41.4 60.13 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 121.775 -0.578 . . . . 0.0 112.406 -171.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -152.99 37.66 0.5 Allowed 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.18 -0.95 . . . . 0.0 112.324 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.631 ' HD2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 58.34 71.86 0.56 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.995 1.379 . . . . 0.0 111.184 172.252 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.911 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 10.4 tmtt? -129.88 85.06 2.26 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 122.258 1.028 . . . . 0.0 112.498 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.752 ' HB2' ' OE1' ' A' ' 46' ' ' GLN . 5.1 pttt -45.68 101.54 0.03 OUTLIER 'General case' 0 C--O 1.239 0.514 0 CA-C-O 122.617 1.198 . . . . 0.0 110.719 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.503 HG21 ' CD2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -91.33 -48.68 13.8 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.848 -172.417 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.967 ' HB1' HD13 ' A' ' 62' ' ' LEU . . . -125.33 142.13 51.67 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 121.506 -0.746 . . . . 0.0 110.566 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.752 ' OE1' ' HB2' ' A' ' 43' ' ' LYS . 4.5 mt-30 -156.15 156.14 33.71 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.828 1.299 . . . . 0.0 112.565 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CE1' HG21 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.92 112.93 12.85 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 123.59 0.756 . . . . 0.0 110.721 174.669 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -139.16 101.77 4.35 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.751 -0.593 . . . . 0.0 111.352 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.29 148.74 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.152 0.977 . . . . 0.0 110.685 175.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -89.32 40.83 1.0 Allowed 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.861 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.03 -10.9 9.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 173.352 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.569 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 43.4 tt0 169.11 97.72 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.911 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.46 HG21 ' CE1' ' A' ' 47' ' ' PHE . 8.6 p -78.74 175.11 10.76 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.608 0.718 . . . . 0.0 111.136 174.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -118.48 94.41 4.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.052 0.929 . . . . 0.0 110.902 173.709 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -164.94 57.99 0.13 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.961 0.886 . . . . 0.0 110.876 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -90.69 32.67 0.96 Allowed 'General case' 0 C--O 1.249 1.071 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.683 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.42 118.81 0.55 Allowed 'General case' 0 C--O 1.246 0.903 0 O-C-N 121.058 -1.026 . . . . 0.0 110.75 -176.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.77 -11.77 60.98 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.8 t -58.15 -26.1 62.27 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.301 -0.874 . . . . 0.0 110.649 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CE1' HG23 ' A' ' 70' ' ' ILE . 23.0 m-85 -150.01 93.25 1.99 Allowed 'General case' 0 C--O 1.248 0.976 0 O-C-N 121.837 -0.539 . . . . 0.0 110.536 171.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.674 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 6.7 tttp -125.79 135.17 51.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.999 0.904 . . . . 0.0 112.271 -172.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.967 HD13 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -80.34 151.19 29.59 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.156 0.583 . . . . 0.0 110.847 176.605 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.674 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 15.5 m-85 -109.88 174.13 6.01 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 121.165 -0.96 . . . . 0.0 111.299 174.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -65.86 -46.23 79.22 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 121.495 -0.753 . . . . 0.0 110.569 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -64.07 -20.13 65.73 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.448 -0.783 . . . . 0.0 110.385 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.613 ' O ' HG21 ' A' ' 21' ' ' ILE . . . 99.67 24.03 10.4 Favored Glycine 0 C--O 1.25 1.098 0 O-C-N 121.556 -0.715 . . . . 0.0 113.075 171.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.481 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -87.53 150.37 23.77 Favored 'General case' 0 C--O 1.247 0.971 0 O-C-N 120.857 -1.378 . . . . 0.0 110.731 173.043 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.986 HD22 HD12 ' A' ' 19' ' ' LEU . 7.7 tt -108.24 109.54 20.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.014 0.912 . . . . 0.0 111.613 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 11.8 ttmt -80.95 142.81 33.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.602 0.715 . . . . 0.0 110.963 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 59' ' ' THR . 2.3 mt -126.69 115.97 43.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-O 121.667 0.746 . . . . 0.0 110.624 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.41 135.15 35.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.64 0.733 . . . . 0.0 111.39 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t60 61.34 121.66 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.278 1.513 . . . . 0.0 111.362 -173.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.701 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 3.1 tm? -139.09 85.52 2.07 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.979 -1.076 . . . . 0.0 113.107 -178.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -107.28 -171.71 1.93 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.673 1.225 . . . . 0.0 109.834 169.153 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.423 ' HA ' HG13 ' A' ' 102' ' ' ILE . 88.3 m -47.18 -25.56 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.63 170.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.41 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -77.95 -49.05 14.89 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.833 0.825 . . . . 0.0 111.549 179.749 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.67 13.72 9.86 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.516 -0.74 . . . . 0.0 111.619 -176.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.577 ' HG3' HG12 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -93.21 101.49 13.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.317 1.056 . . . . 0.0 111.505 174.414 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.19 174.18 7.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.283 1.039 . . . . 0.0 111.183 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.626 HG22 ' CG2' ' A' ' 38' ' ' THR . 2.8 mp -96.54 151.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.91 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.835 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 73.8 m-85 -141.08 165.16 28.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.555 1.169 . . . . 0.0 111.423 -171.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 20.3 ttpt -151.58 133.82 15.24 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.697 173.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 85' ' ' ILE . 2.9 p -108.27 113.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.884 1.326 . . . . 0.0 110.94 -173.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.446 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 2.3 p -116.36 111.29 19.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.238 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.97 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -118.42 123.22 71.25 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -173.511 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.555 ' HA ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -113.82 180.0 3.8 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 120.989 -1.07 . . . . 0.0 111.816 -167.713 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.737 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -97.89 -171.29 2.14 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.092 0.949 . . . . 0.0 110.862 -177.255 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -24.53 56.36 Favored 'General case' 0 C--O 1.252 1.229 0 O-C-N 121.403 -0.81 . . . . 0.0 112.133 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -112.44 30.14 7.34 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 120.951 -1.093 . . . . 0.0 112.154 -173.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.78 18.07 69.96 Favored Glycine 0 C--O 1.25 1.119 0 O-C-N 121.282 -0.886 . . . . 0.0 113.126 173.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.737 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -90.25 123.12 33.77 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.121 -1.223 . . . . 0.0 111.472 -177.351 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.31 99.39 0.03 OUTLIER 'General case' 0 C--O 1.243 0.724 0 O-C-N 121.511 -0.743 . . . . 0.0 110.736 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -77.55 -50.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 123.209 1.48 . . . . 0.0 110.468 -179.516 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.862 HD21 ' CG ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -152.12 145.44 24.74 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.994 175.728 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.413 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -129.63 153.46 48.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 -178.665 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HB2' HG13 ' A' ' 83' ' ' VAL . 4.5 mmmt -146.5 163.75 34.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.519 ' O ' ' HD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -126.18 138.54 54.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.749 0.785 . . . . 0.0 110.904 -178.424 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.737 ' CD1' HD23 ' A' ' 7' ' ' LEU . 20.8 m-30 -134.16 172.08 13.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.161 0.981 . . . . 0.0 111.744 -172.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 1.5 p30 -158.36 111.71 2.41 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.487 0.66 . . . . 0.0 111.742 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.835 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.31 141.25 47.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.868 0.842 . . . . 0.0 110.962 173.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' H ' HD23 ' A' ' 100' ' ' LEU . 28.0 mttp -130.02 -176.73 4.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 123.193 1.473 . . . . 0.0 111.423 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.725 ' CG2' HD12 ' A' ' 13' ' ' LEU . 5.0 mm -142.82 140.36 27.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.832 170.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.258 -171.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.709 ' O ' HD12 ' A' ' 97' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.5 0 CA-C-O 122.386 1.089 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 5' ' ' ASN . . . 179.81 167.75 1.21 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.113 0.958 . . . . 0.0 111.236 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.757 HD12 ' CE2' ' A' ' 98' ' ' PHE . 10.1 mt -142.58 78.94 1.64 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.205 1.002 . . . . 0.0 110.689 173.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -47.19 104.26 0.05 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.162 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.82 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -112.75 159.62 18.77 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.906 -0.496 . . . . 0.0 110.393 176.585 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -147.92 159.58 43.71 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 121.744 -0.597 . . . . 0.0 110.539 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.79 -170.45 24.38 Favored Glycine 0 C--O 1.239 0.413 0 CA-C-O 123.074 1.374 . . . . 0.0 112.731 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.524 ' HB3' ' OE1' ' A' ' 15' ' ' GLN . . . -124.97 170.79 10.77 Favored 'General case' 0 C--O 1.242 0.664 0 O-C-N 121.543 -0.975 . . . . 0.0 110.688 173.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.086 ' CD1' HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -89.96 134.33 34.29 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.592 1.663 . . . . 0.0 113.415 -172.556 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 47.04 7.06 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -172.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.524 ' OE1' ' HB3' ' A' ' 12' ' ' ALA . 1.2 tt0 -157.87 142.77 16.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 124.831 2.253 . . . . 0.0 116.164 -167.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 158.34 21.9 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.045 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.025 ' CG2' HD21 ' A' ' 100' ' ' LEU . 8.7 tt -160.32 156.13 3.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.958 0.885 . . . . 0.0 110.811 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -116.74 121.24 41.03 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.237 1.018 . . . . 0.0 111.513 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.938 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 6.5 mt -79.58 107.69 12.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.934 0.874 . . . . 0.0 110.119 172.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -151.48 0.09 Allowed 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -171.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.901 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -165.74 150.39 7.63 Favored Pre-proline 0 C--N 1.318 -0.767 0 O-C-N 121.484 -0.76 . . . . 0.0 110.363 -172.341 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.901 ' HD2' HG12 ' A' ' 21' ' ' ILE . 10.5 Cg_exo -40.49 177.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.439 1 C-N-CA 126.941 5.094 . . . . 0.0 116.143 177.315 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.59 31.6 0.75 Allowed 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.691 -172.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.03 ' HD2' HD12 ' A' ' 94' ' ' LEU . 22.7 m-85 -107.28 164.8 11.87 Favored 'General case' 0 C--O 1.244 0.815 0 O-C-N 121.479 -0.763 . . . . 0.0 110.557 171.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -139.69 114.09 9.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.973 0.892 . . . . 0.0 111.055 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.96 ' HG2' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -80.3 171.38 15.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.866 0.841 . . . . 0.0 110.826 177.401 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -97.77 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.093 0.949 . . . . 0.0 110.736 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.33 -27.25 24.42 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.049 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -83.63 -28.02 28.73 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.235 -0.916 . . . . 0.0 113.107 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.96 HD12 ' HG2' ' A' ' 26' ' ' MET . 1.9 mt -86.6 142.0 13.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 -175.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.76 -30.25 4.18 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -171.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' C ' HG12 ' A' ' 33' ' ' ILE . 4.3 m-20 -133.19 168.32 18.76 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.163 1.459 . . . . 0.0 111.87 -172.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.986 HG23 HG23 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -148.41 153.45 11.41 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.549 -173.214 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -158.36 144.4 17.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.739 1.733 . . . . 0.0 112.593 172.468 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.938 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 32.7 m95 -137.25 109.28 7.19 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.162 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.07 167.69 9.87 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.167 0.984 . . . . 0.0 110.796 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 44' ' ' ILE . 4.0 mttt -94.8 -178.03 4.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.412 1.101 . . . . 0.0 111.107 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 1.036 HG22 ' HB ' ' A' ' 80' ' ' ILE . 39.4 p -45.63 -120.62 0.0 OUTLIER 'General case' 0 C--O 1.256 1.443 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 1.3 m -74.49 -22.59 58.99 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 119.775 -1.828 . . . . 0.0 110.44 -172.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.764 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -61.94 -36.34 81.12 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.277 172.266 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.764 ' HG3' ' C ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 49.56 45.19 24.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.76 1.267 . . . . 0.0 110.185 -178.802 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.798 ' HB3' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -118.72 111.58 18.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.625 1.202 . . . . 0.0 110.965 -172.546 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.521 ' O ' ' HE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -49.57 95.9 0.01 OUTLIER 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.661 -173.627 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.457 HG23 ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.35 -31.54 52.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 121.697 -0.627 . . . . 0.0 110.669 171.214 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.572 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -140.45 135.89 32.45 Favored 'General case' 0 C--O 1.259 1.559 0 O-C-N 121.75 -0.594 . . . . 0.0 110.573 -174.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' HB3' ' HD2' ' A' ' 54' ' ' PHE . 4.5 tt0 -159.2 156.47 28.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 123.808 1.766 . . . . 0.0 113.824 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.544 ' HD1' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -120.51 135.0 55.2 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.431 172.519 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.544 ' N ' ' HD1' ' A' ' 47' ' ' PHE . 18.1 ttt180 -162.75 114.18 1.53 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.456 0.646 . . . . 0.0 111.129 -177.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 tptm 68.13 146.65 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.966 0.888 . . . . 0.0 110.607 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -90.26 35.93 0.87 Allowed 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.636 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -120.08 -8.4 9.75 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 178.81 145.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.044 -174.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 p -121.94 168.83 11.44 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.644 0.735 . . . . 0.0 111.048 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.575 ' HD2' ' HB3' ' A' ' 46' ' ' GLN . 3.0 t80 -109.45 97.16 6.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.642 0.734 . . . . 0.0 110.975 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.31 92.42 0.73 Allowed 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -75.51 -31.85 60.31 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.666 -0.647 . . . . 0.0 111.565 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -150.09 158.39 44.12 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.433 -0.792 . . . . 0.0 110.896 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -22.12 60.97 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.566 -0.709 . . . . 0.0 112.707 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 59.0 m -48.52 -23.04 0.85 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.055 0.455 . . . . 0.0 110.325 174.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.627 ' HE2' ' CE2' ' A' ' 81' ' ' TYR . 22.8 m-85 -150.97 83.88 1.33 Allowed 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 172.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.729 ' HB3' ' HE1' ' A' ' 63' ' ' PHE . 1.4 tttt -94.29 158.78 15.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.918 1.342 . . . . 0.0 112.482 -172.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.859 HD11 HG21 ' A' ' 33' ' ' ILE . 15.7 tp -117.04 145.44 43.71 Favored 'General case' 0 C--O 1.254 1.337 0 C-N-CA 124.126 0.97 . . . . 0.0 109.865 172.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.754 ' HD1' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -126.89 168.44 14.49 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.959 -1.088 . . . . 0.0 111.294 178.099 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -33.22 73.35 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.62 0.724 . . . . 0.0 111.148 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -84.64 9.13 14.6 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.533 -0.729 . . . . 0.0 112.102 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.57 17.15 64.58 Favored Glycine 0 C--O 1.252 1.219 0 O-C-N 120.857 -1.152 . . . . 0.0 112.851 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -90.22 149.72 22.28 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.842 -1.387 . . . . 0.0 111.081 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -129.25 115.81 18.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.758 0.79 . . . . 0.0 111.101 173.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 tttt -104.26 105.92 16.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.913 -0.492 . . . . 0.0 111.884 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -99.71 118.74 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.547 1.165 . . . . 0.0 108.667 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -91.24 136.15 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 118.65 2.833 . . . . 0.0 118.65 -165.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.469 ' O ' HD23 ' A' ' 73' ' ' LEU . 55.8 t-80 35.16 85.42 0.01 OUTLIER 'General case' 0 C--O 1.242 0.666 0 C-N-CA 127.592 2.357 . . . . 0.0 115.014 166.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.866 ' HB2' ' CG ' ' A' ' 77' ' ' ASP . 61.4 mt -158.29 169.87 23.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 125.378 2.513 . . . . 0.0 114.073 174.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 -153.86 0.33 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.295 -171.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.499 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 67.8 m -48.92 -23.06 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.799 -1.188 . . . . 0.0 112.955 172.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -46.87 88.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.502 1.144 . . . . 0.0 111.962 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.866 ' CG ' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -69.37 -11.36 60.76 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.056 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 102' ' ' ILE . 2.0 tm0? -79.97 115.94 19.83 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.261 -0.9 . . . . 0.0 110.77 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.498 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 8.7 m-20 -153.55 173.08 16.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.513 1.149 . . . . 0.0 111.151 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.036 ' HB ' HG22 ' A' ' 38' ' ' THR . 1.0 OUTLIER -96.32 131.91 41.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-O 123.381 1.562 . . . . 0.0 110.607 173.019 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.627 ' CE2' ' HE2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -126.36 167.19 15.87 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.322 1.049 . . . . 0.0 110.631 -173.095 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.748 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 3.0 ttpm? -153.37 130.17 10.89 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.167 -0.958 . . . . 0.0 110.705 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.991 ' CG2' HD11 ' A' ' 85' ' ' ILE . 12.2 p -103.23 127.53 57.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 122.687 1.232 . . . . 0.0 111.457 -173.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -133.45 107.46 8.06 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 123.643 0.777 . . . . 0.0 110.423 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.991 HD11 ' CG2' ' A' ' 83' ' ' VAL . 2.0 mm -116.19 119.55 62.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.559 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.033 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.523 ' O ' HG23 ' A' ' 30' ' ' ILE . 4.6 m-85 -111.34 162.96 14.48 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 120.212 -1.555 . . . . 0.0 112.922 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.696 ' HB3' HG11 ' A' ' 93' ' ' VAL . 10.3 p-10 -88.54 -168.96 2.36 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.793 1.282 . . . . 0.0 111.263 174.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -30.21 71.27 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.46 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -89.83 16.33 8.28 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.44 -0.787 . . . . 0.0 112.414 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 16.37 70.39 Favored Glycine 0 C--O 1.252 1.228 0 O-C-N 120.887 -1.133 . . . . 0.0 112.459 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.19 143.16 27.21 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.018 -1.283 . . . . 0.0 111.282 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -78.72 84.51 4.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.262 1.03 . . . . 0.0 110.573 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.696 HG11 ' HB3' ' A' ' 87' ' ' ASP . 2.4 m -70.34 -18.6 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.742 0.782 . . . . 0.0 112.536 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.03 HD12 ' HD2' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -152.22 146.76 25.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.897 0.856 . . . . 0.0 110.88 174.148 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -154.07 152.34 30.35 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.352 0.596 . . . . 0.0 110.736 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.748 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -173.21 162.03 4.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.357 1.075 . . . . 0.0 111.297 -176.724 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 5' ' ' ASN . 5.1 mt -114.26 141.03 32.03 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.755 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.784 ' CE1' HG12 ' A' ' 83' ' ' VAL . 6.3 m-85 -136.53 167.32 21.59 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.455 -0.778 . . . . 0.0 111.197 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -161.56 87.39 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.031 0.92 . . . . 0.0 111.038 -173.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.025 HD21 ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.9 103.56 0.6 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.143 0.973 . . . . 0.0 111.111 173.65 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.451 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -101.98 161.72 13.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 123.264 1.507 . . . . 0.0 112.036 176.651 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 1.086 HD12 ' CD1' ' A' ' 13' ' ' LEU . 1.2 mm -127.6 153.33 36.73 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.623 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.318 -0.768 0 CA-C-O 122.724 1.25 . . . . 0.0 111.794 -171.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 C--O 1.238 0.485 0 CA-C-O 122.861 1.315 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.89 173.45 6.32 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 122.76 1.267 . . . . 0.0 111.535 -175.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 11.2 mt -127.85 94.67 4.0 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.541 1.162 . . . . 0.0 111.19 -173.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.44 107.55 0.15 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.054 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.61 141.97 45.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.724 0.773 . . . . 0.0 110.964 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -131.38 159.78 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.05 0.929 . . . . 0.0 111.085 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.86 -153.3 6.35 Favored Glycine 0 C--O 1.239 0.452 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.75 ' HA ' HG23 ' A' ' 102' ' ' ILE . . . -161.63 146.29 13.15 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 110.766 173.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.876 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -50.64 118.65 3.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 123.401 1.572 . . . . 0.0 110.64 174.036 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.876 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 90.18 43.98 4.84 Favored Glycine 0 C--O 1.245 0.84 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 174.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.696 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 2.1 tp60 -130.15 169.88 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 123.561 1.648 . . . . 0.0 112.951 -171.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.443 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -126.43 138.97 53.59 Favored 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 172.772 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.683 HG21 HD21 ' A' ' 100' ' ' LEU . 4.8 tp -147.49 172.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.579 1.18 . . . . 0.0 112.295 -171.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -131.33 138.73 49.33 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.094 0.95 . . . . 0.0 111.738 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.023 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.6 OUTLIER -87.11 95.21 9.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.576 0.703 . . . . 0.0 110.227 172.224 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.31 108.84 20.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.118 1.437 . . . . 0.0 111.603 -171.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.952 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 11.0 tp -70.26 154.79 94.28 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.035 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.952 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 10.4 Cg_exo -41.65 -175.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.386 1 C-N-CA 127.318 5.345 . . . . 0.0 116.346 173.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 29.78 0.74 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.717 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -104.85 122.71 46.32 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.435 0.636 . . . . 0.0 110.594 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.21 143.54 50.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.038 0.923 . . . . 0.0 111.398 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.415 ' HB2' ' CG2' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -71.82 154.54 41.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.924 0.869 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.8 t -132.94 -122.7 0.18 Allowed 'General case' 0 C--O 1.254 1.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 -175.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -88.12 -27.43 21.92 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 120.708 -1.245 . . . . 0.0 112.045 -173.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.7 -26.81 20.48 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.203 -0.936 . . . . 0.0 113.113 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 86' ' ' TYR . 30.7 mt -87.52 161.67 2.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 CA-C-O 121.125 0.488 . . . . 0.0 110.817 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HB2' HG22 ' A' ' 88' ' ' THR . 0.4 OUTLIER -150.07 -36.68 0.15 Allowed 'General case' 0 C--O 1.262 1.762 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.0 158.76 16.07 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.197 -1.564 . . . . 0.0 112.034 -171.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.053 HG23 HD13 ' A' ' 85' ' ' ILE . 5.2 mt -140.07 157.53 25.61 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.651 173.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -158.72 141.14 14.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.535 1.636 . . . . 0.0 112.228 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 1.023 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 38.7 m95 -133.36 120.84 21.5 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.011 172.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.6 150.97 22.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.67 0.748 . . . . 0.0 110.689 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.865 ' HB3' HG23 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -102.75 145.27 29.98 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.928 -0.482 . . . . 0.0 109.958 176.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.811 HG21 ' CG2' ' A' ' 80' ' ' ILE . 7.8 p -76.39 -37.12 57.62 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 121.354 -0.841 . . . . 0.0 111.701 -171.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -64.61 0.78 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.883 0.849 . . . . 0.0 111.143 -173.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -11.03 40.55 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.258 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 59.12 62.44 1.85 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.821 1.296 . . . . 0.0 110.471 -173.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -152.03 128.08 10.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 123.199 1.476 . . . . 0.0 112.964 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.92 97.89 0.01 OUTLIER 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.109 0.964 . . . . 0.0 112.544 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.865 HG23 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -68.11 -28.42 40.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.91 0 O-C-N 121.852 -0.53 . . . . 0.0 111.329 172.211 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . . . -144.39 146.83 32.74 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.231 -0.918 . . . . 0.0 110.768 -177.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.56 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.0 tt0 -168.56 159.69 10.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 123.512 1.625 . . . . 0.0 112.834 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.56 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -123.51 134.52 53.87 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.821 175.127 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -167.98 126.02 1.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.973 0.892 . . . . 0.0 111.53 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 51' ' ' LYS . 1.1 tttp 69.09 142.46 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.006 0.908 . . . . 0.0 110.999 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -90.59 36.98 0.9 Allowed 'General case' 0 C--O 1.251 1.151 0 O-C-N 121.822 -0.549 . . . . 0.0 111.665 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -120.24 -9.34 9.55 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 173.543 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER 172.14 150.7 0.06 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.211 -1.359 . . . . 0.0 110.949 -176.069 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.487 HG21 ' HE1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.68 -172.02 2.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.676 0.751 . . . . 0.0 111.038 -174.388 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' HD2' ' HA ' ' A' ' 45' ' ' ALA . 43.9 t80 -127.0 94.6 4.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.905 0.859 . . . . 0.0 111.246 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -159.34 62.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.252 1.025 . . . . 0.0 110.612 173.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -26.55 47.14 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.696 -172.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 59' ' ' THR . 11.2 mmmt -149.31 168.03 24.45 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.94 -1.1 . . . . 0.0 111.292 -173.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.26 -10.56 56.36 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.667 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 70' ' ' ILE . 10.2 t -65.12 -21.33 66.78 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.266 -0.897 . . . . 0.0 110.916 173.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.879 ' HE1' ' HE2' ' A' ' 81' ' ' TYR . 21.9 m-85 -150.09 92.42 1.88 Allowed 'General case' 0 C--O 1.245 0.824 0 O-C-N 121.596 -0.69 . . . . 0.0 110.754 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' HE2' ' HB3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -110.77 154.55 23.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.698 1.237 . . . . 0.0 111.858 -173.243 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.972 HD11 HG21 ' A' ' 33' ' ' ILE . 4.9 tp -108.25 150.03 27.82 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.741 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -128.85 177.43 7.09 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.176 -0.952 . . . . 0.0 111.361 177.325 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -72.6 -40.97 66.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.768 0.794 . . . . 0.0 111.423 -173.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -87.22 15.39 6.32 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.936 -0.477 . . . . 0.0 112.182 -173.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' HA2' HD12 ' A' ' 85' ' ' ILE . . . 77.89 22.94 67.83 Favored Glycine 0 C--O 1.251 1.175 0 O-C-N 121.0 -1.063 . . . . 0.0 112.409 -177.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -90.59 141.14 29.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 120.951 -1.323 . . . . 0.0 111.132 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.839 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.5 tt -107.74 153.07 23.5 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.399 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 tmmt? -134.27 114.16 12.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -108.68 103.05 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 122.229 1.014 . . . . 0.0 110.736 -178.147 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -89.3 140.69 29.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 -173.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 61.68 123.27 0.01 OUTLIER 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.95 1.357 . . . . 0.0 110.822 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.696 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -139.82 163.35 32.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.751 1.263 . . . . 0.0 109.319 -171.264 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.78 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -153.58 -148.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.446 168.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.459 ' HA ' HG13 ' A' ' 102' ' ' ILE . 96.2 m -82.0 -29.96 31.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 123.7 1.714 . . . . 0.0 109.431 164.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -54.05 12.58 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.213 172.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.476 ' CB ' ' HA ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.11 -0.87 10.59 Favored 'General case' 0 C--O 1.254 1.341 0 O-C-N 121.016 -1.052 . . . . 0.0 110.604 -177.028 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.467 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -87.58 137.85 31.98 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.691 -1.256 . . . . 0.0 110.625 171.777 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-20 -158.49 167.5 29.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.272 1.034 . . . . 0.0 111.769 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.811 ' CG2' HG21 ' A' ' 38' ' ' THR . 2.4 mp -92.22 143.53 11.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 O-C-N 121.703 -0.623 . . . . 0.0 110.044 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.879 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 84.1 m-85 -134.07 169.38 17.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.988 0.899 . . . . 0.0 110.826 -171.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.8 128.03 12.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.887 0.851 . . . . 0.0 110.808 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 21' ' ' ILE . 3.7 p -104.99 115.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.572 1.177 . . . . 0.0 110.896 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.61 119.64 28.63 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.601 0.761 . . . . 0.0 110.079 176.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.053 HD13 HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -125.53 129.52 72.81 Favored 'Isoleucine or valine' 0 C--O 1.26 1.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -172.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -124.48 165.13 18.32 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 120.203 -1.56 . . . . 0.0 112.472 -167.378 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.479 ' OD1' HG13 ' A' ' 93' ' ' VAL . 3.9 p-10 -79.43 -174.56 4.28 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 122.317 1.055 . . . . 0.0 111.088 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -60.91 -32.0 71.5 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.582 -177.803 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -95.53 25.27 4.59 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.419 -0.801 . . . . 0.0 112.33 -173.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.82 25.03 70.32 Favored Glycine 0 C--O 1.249 1.044 0 O-C-N 121.006 -1.059 . . . . 0.0 112.727 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.52 127.66 36.31 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.174 -1.192 . . . . 0.0 111.264 173.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 93.22 1.69 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.006 0.908 . . . . 0.0 110.713 175.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.479 HG13 ' OD1' ' A' ' 87' ' ' ASP . 29.6 m -76.63 -37.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.59 1.186 . . . . 0.0 111.689 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.726 HD22 ' H ' ' A' ' 95' ' ' GLU . 0.8 OUTLIER -155.67 142.15 18.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.609 1.195 . . . . 0.0 110.778 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.726 ' H ' HD22 ' A' ' 94' ' ' LEU . 13.3 pt-20 -145.36 170.88 15.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.507 1.146 . . . . 0.0 111.884 -172.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HD3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -170.59 159.25 6.64 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.917 -178.243 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.73 129.56 75.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 CA-C-O 121.364 0.602 . . . . 0.0 110.885 -178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.825 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 19.4 m-85 -115.99 171.64 7.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.913 0.863 . . . . 0.0 111.271 -174.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.99 94.12 1.5 Allowed 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.872 -0.518 . . . . 0.0 111.506 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 101' ' ' LYS . 1.5 tm? -77.08 130.89 38.0 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.318 -0.864 . . . . 0.0 110.908 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.742 ' N ' HD13 ' A' ' 100' ' ' LEU . 47.3 mttt -133.69 171.34 14.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.051 0.929 . . . . 0.0 111.352 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.75 HG23 ' HA ' ' A' ' 12' ' ' ALA . 31.7 mm -120.72 145.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 122.049 0.928 . . . . 0.0 110.526 172.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.487 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.548 0 CA-C-O 122.481 1.134 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.52 177.93 8.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.439 1.59 . . . . 0.0 112.152 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.044 HD23 ' CD2' ' A' ' 98' ' ' PHE . 9.1 tp -127.75 123.39 35.21 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.65 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.89 94.0 0.3 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.869 0.843 . . . . 0.0 110.956 173.616 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.876 HG21 HD23 ' A' ' 19' ' ' LEU . 2.4 m -101.51 100.68 11.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.867 0.842 . . . . 0.0 110.822 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.529 ' O ' HD12 ' A' ' 17' ' ' ILE . 95.9 m95 -98.23 157.15 16.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.026 0.917 . . . . 0.0 111.579 -173.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.595 ' HA3' HG21 ' A' ' 17' ' ' ILE . . . -157.18 -144.75 4.02 Favored Glycine 0 C--O 1.24 0.475 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 1.055 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -139.56 166.33 24.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.877 0.846 . . . . 0.0 110.934 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 9.4 tt -93.16 116.72 29.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.829 1.299 . . . . 0.0 110.63 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.42 44.12 8.15 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -169.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 1.055 ' CG ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -127.34 -170.52 2.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 124.38 2.038 . . . . 0.0 112.855 -169.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.44 126.12 17.95 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.723 171.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.595 HG21 ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -142.03 173.55 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.516 0 CA-C-O 122.633 1.206 . . . . 0.0 111.364 -172.216 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' N ' HG13 ' A' ' 17' ' ' ILE . 36.5 m-80 -119.57 173.6 6.9 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 123.759 1.743 . . . . 0.0 112.855 -173.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.979 ' CD1' HD23 ' A' ' 68' ' ' LEU . 11.4 mt -127.09 124.23 38.73 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 125.202 1.401 . . . . 0.0 109.793 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.1 -163.95 1.11 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.0 1.381 . . . . 0.0 111.565 -171.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.911 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.73 157.6 14.4 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.559 -171.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.923 ' HG2' HD21 ' A' ' 94' ' ' LEU . 21.1 Cg_exo -43.11 169.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.552 1 C-N-CA 126.579 4.853 . . . . 0.0 115.214 -178.078 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.99 31.97 0.94 Allowed 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.441 -0.787 . . . . 0.0 111.884 -173.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -90.52 168.37 11.87 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.317 -0.864 . . . . 0.0 110.836 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -126.44 66.28 1.23 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.357 1.075 . . . . 0.0 111.045 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -55.6 131.32 46.04 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.467 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -124.34 -120.31 0.27 Allowed 'General case' 0 C--O 1.254 1.298 0 O-C-N 121.311 -0.868 . . . . 0.0 110.216 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.93 12.01 4.5 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 120.738 -1.226 . . . . 0.0 112.53 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -93.1 -28.02 16.59 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.741 -1.224 . . . . 0.0 112.855 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 93' ' ' VAL . 2.1 mm -90.07 145.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.749 0.785 . . . . 0.0 111.152 -173.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.27 -37.96 1.62 Allowed 'General case' 0 C--O 1.251 1.136 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.209 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' C ' HG12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -116.32 155.99 27.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.765 1.269 . . . . 0.0 111.659 -172.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.088 HG23 HG23 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -149.73 132.0 6.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.507 -176.344 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -140.73 135.76 31.88 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.134 1.445 . . . . 0.0 112.103 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.939 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 55.8 m95 -131.2 125.41 32.88 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.917 172.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.01 159.62 25.26 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-O 121.432 0.635 . . . . 0.0 110.847 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 26.7 ttpt -84.21 97.26 9.29 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.72 HG23 ' C ' ' A' ' 81' ' ' TYR . 19.3 p -35.55 -42.22 0.22 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -171.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -64.18 -71.23 0.18 Allowed 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.487 0.66 . . . . 0.0 112.211 -173.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 19.62 15.4 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 121.344 -0.848 . . . . 0.0 113.059 -172.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.67 61.69 2.87 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 120.978 -1.076 . . . . 0.0 110.46 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' ILE . 20.9 mttp -119.35 94.38 4.4 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 122.597 1.189 . . . . 0.0 112.422 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -44.8 99.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.046 0.927 . . . . 0.0 111.445 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.919 HD12 ' CD1' ' A' ' 60' ' ' TYR . 28.1 pt -92.33 -45.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.135 0.969 . . . . 0.0 110.976 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.732 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -133.95 142.44 47.69 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.529 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.529 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 5.2 tt0 -160.61 153.95 21.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.106 1.432 . . . . 0.0 112.414 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 46' ' ' GLN . 2.0 m-85 -138.01 85.75 2.12 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.744 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -104.96 79.3 1.49 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-O 121.284 0.564 . . . . 0.0 111.184 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 69.13 154.59 0.12 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.362 1.077 . . . . 0.0 110.164 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -86.91 40.01 0.88 Allowed 'General case' 0 C--O 1.249 1.078 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.297 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.84 -6.93 11.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.633 1.206 . . . . 0.0 113.918 172.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -175.77 75.25 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.837 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.18 171.55 10.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.866 0.841 . . . . 0.0 111.269 -173.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' C ' ' HD1' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -132.67 101.25 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.764 0.792 . . . . 0.0 111.27 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 53.59 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.865 0.841 . . . . 0.0 111.106 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -1.45 28.56 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -173.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.633 ' HB3' HG22 ' A' ' 59' ' ' THR . 8.6 tttm -155.07 149.84 26.59 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 120.811 -1.18 . . . . 0.0 111.303 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -74.37 -17.53 60.8 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.633 HG22 ' HB3' ' A' ' 57' ' ' LYS . 10.2 t -52.01 -26.5 10.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.86 0.838 . . . . 0.0 110.731 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.919 ' CD1' HD12 ' A' ' 44' ' ' ILE . 49.3 m-85 -150.67 96.02 2.31 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 121.223 0.535 . . . . 0.0 110.614 171.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.65 126.0 53.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.894 0.854 . . . . 0.0 111.694 -172.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.732 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 1.1 tp -86.7 141.56 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 121.479 -0.763 . . . . 0.0 111.196 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.623 ' H ' HD12 ' A' ' 62' ' ' LEU . 22.7 m-85 -112.51 173.67 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.993 0.901 . . . . 0.0 111.256 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -77.3 -39.98 45.98 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.743 0.782 . . . . 0.0 111.154 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -70.43 -5.17 26.51 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 121.679 -0.638 . . . . 0.0 111.843 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.78 17.32 33.32 Favored Glycine 0 C--O 1.252 1.232 0 O-C-N 120.84 -1.162 . . . . 0.0 112.462 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 19' ' ' LEU . 1.3 m -90.1 168.17 12.18 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 120.86 -1.376 . . . . 0.0 110.947 173.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.979 HD23 ' CD1' ' A' ' 19' ' ' LEU . 18.3 tp -135.12 130.34 35.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.715 0.769 . . . . 0.0 111.026 174.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -107.96 126.14 52.35 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.378 -0.827 . . . . 0.0 110.902 -173.609 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.488 HG13 ' CE1' ' A' ' 60' ' ' TYR . 1.1 tt -121.83 112.53 35.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.752 1.263 . . . . 0.0 110.102 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.88 149.17 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.56 1.172 . . . . 0.0 112.009 -172.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 49.68 81.03 0.06 Allowed 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.18 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.033 HD23 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -132.93 100.95 5.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.861 1.791 . . . . 0.0 113.095 -173.472 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.19 -159.19 0.66 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.115 171.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 m -49.86 -28.98 7.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.518 1.151 . . . . 0.0 111.978 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -32.62 31.12 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.219 -173.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -73.97 -19.54 60.63 Favored 'General case' 0 C--O 1.255 1.37 0 O-C-N 121.219 -0.926 . . . . 0.0 111.99 177.491 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.636 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -69.22 103.59 1.98 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.099 -1.001 . . . . 0.0 110.938 -174.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -133.96 162.79 31.1 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 110.92 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.516 HG22 ' OG1' ' A' ' 38' ' ' THR . 0.1 OUTLIER -89.16 147.2 5.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.768 0.794 . . . . 0.0 110.539 175.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.91 ' CD2' HD11 ' A' ' 19' ' ' LEU . 14.5 m-85 -138.27 166.46 24.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.078 0.942 . . . . 0.0 111.522 -171.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -154.35 129.07 9.33 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.785 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.811 HG12 ' CE1' ' A' ' 98' ' ' PHE . 9.8 p -101.97 121.47 53.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 122.7 1.238 . . . . 0.0 111.314 -173.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.664 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 85.1 p -117.29 112.87 21.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.462 173.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.088 HG23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -121.82 119.27 58.25 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-O 121.305 0.574 . . . . 0.0 109.912 -173.323 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.686 ' N ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -115.19 160.36 19.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.702 1.239 . . . . 0.0 112.588 -167.319 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.429 ' CG ' ' CG1' ' A' ' 93' ' ' VAL . 31.3 p30 -90.6 -176.35 4.71 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.544 1.164 . . . . 0.0 111.37 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -29.43 67.88 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.921 -175.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -93.89 26.03 3.37 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 121.215 -0.928 . . . . 0.0 112.512 -172.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.18 11.04 66.71 Favored Glycine 0 C--O 1.25 1.148 0 O-C-N 120.934 -1.104 . . . . 0.0 113.307 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 133.5 35.18 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 121.104 -1.233 . . . . 0.0 111.556 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -73.59 87.99 1.66 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.022 1.868 . . . . 0.0 109.436 172.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.896 HG21 HD11 ' A' ' 30' ' ' ILE . 19.5 m -72.15 -31.63 40.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 114.815 -1.084 . . . . 0.0 112.292 -172.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.923 HD21 ' HG2' ' A' ' 22' ' ' PRO . 29.8 tp -152.09 156.55 40.12 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.224 1.012 . . . . 0.0 110.836 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -160.29 151.28 19.01 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.793 0.806 . . . . 0.0 110.947 -172.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.811 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 9.9 mmtt -157.35 160.27 38.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.849 0.833 . . . . 0.0 110.867 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -114.51 141.0 32.52 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 121.605 0.717 . . . . 0.0 110.819 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 1.044 ' CD2' HD23 ' A' ' 7' ' ' LEU . 12.7 m-85 -142.29 178.21 7.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.925 0.869 . . . . 0.0 111.418 -173.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.495 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -177.21 117.25 0.1 Allowed 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.49 0.662 . . . . 0.0 111.922 176.469 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.033 HD21 HD23 ' A' ' 73' ' ' LEU . 1.1 tp -57.0 163.07 2.16 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.513 -0.742 . . . . 0.0 110.749 172.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.729 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 1.3 mttt -151.14 162.88 40.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.645 1.212 . . . . 0.0 111.769 173.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 13' ' ' LEU . 19.8 mm -117.52 141.66 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.006 0.908 . . . . 0.0 109.741 170.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.244 0.809 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.757 -172.187 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.467 0 CA-C-O 123.109 1.433 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.4 172.95 15.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.878 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.071 HD12 ' CE2' ' A' ' 98' ' ' PHE . 85.4 mt -115.71 113.18 23.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.796 0.808 . . . . 0.0 111.155 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.41 86.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.544 1.164 . . . . 0.0 109.582 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.41 132.48 43.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.518 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -130.04 152.86 49.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.741 0.782 . . . . 0.0 111.359 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.4 -146.92 4.71 Favored Glycine 0 C--O 1.24 0.5 0 CA-C-O 121.968 0.76 . . . . 0.0 111.361 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.632 ' C ' HD13 ' A' ' 102' ' ' ILE . . . -150.59 134.13 16.47 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.86 -0.788 . . . . 0.0 111.03 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -48.62 122.04 5.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.636 1.684 . . . . 0.0 110.776 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.927 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 94.43 42.23 4.01 Favored Glycine 0 C--O 1.245 0.784 0 N-CA-C 108.452 -1.859 . . . . 0.0 108.452 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' O ' HD22 ' A' ' 73' ' ' LEU . 3.9 tt0 -150.34 154.09 37.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.461 2.077 . . . . 0.0 115.102 -169.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -90.79 140.7 29.55 Favored 'General case' 0 C--O 1.251 1.164 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.408 171.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.654 HG22 HD13 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -139.02 150.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 122.251 1.024 . . . . 0.0 111.659 -172.782 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.469 ' N ' HG13 ' A' ' 17' ' ' ILE . 51.0 p-10 -98.76 147.0 25.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.926 1.346 . . . . 0.0 111.359 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.869 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 5.6 mt -108.51 106.74 16.97 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.04 -158.11 0.12 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.914 0.864 . . . . 0.0 110.901 -171.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.956 HG13 ' HD2' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -164.75 161.88 15.07 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 121.678 0.751 . . . . 0.0 110.809 -172.339 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.956 ' HD2' HG13 ' A' ' 21' ' ' ILE . 30.9 Cg_exo -45.18 174.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.455 1 C-N-CA 126.526 4.818 . . . . 0.0 115.167 177.662 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -90.15 32.03 0.95 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.789 -174.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.667 ' CD1' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -131.73 149.26 52.54 Favored 'General case' 0 C--O 1.245 0.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.54 173.251 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.32 149.3 48.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.212 1.006 . . . . 0.0 111.143 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.686 ' HB3' HG21 ' A' ' 30' ' ' ILE . 4.6 ptt? -51.3 154.52 1.68 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.973 0.892 . . . . 0.0 110.912 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.03 -89.12 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.608 1.194 . . . . 0.0 111.041 -173.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.96 -58.35 5.73 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.057 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -154.68 49.57 0.6 Allowed 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.982 -1.074 . . . . 0.0 113.045 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -89.88 142.42 12.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 O-C-N 120.791 -1.193 . . . . 0.0 110.144 171.617 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.43 -41.82 1.21 Allowed 'General case' 0 C--O 1.261 1.68 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -171.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -123.35 150.11 44.06 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.204 -1.56 . . . . 0.0 112.13 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.942 ' HA ' HG23 ' A' ' 85' ' ' ILE . 1.4 mp -144.92 110.98 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.771 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -113.71 146.06 40.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.558 1.17 . . . . 0.0 111.338 -173.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.869 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 40.6 m95 -138.69 124.18 19.48 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.688 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.21 165.9 12.64 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.811 -0.556 . . . . 0.0 110.948 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.638 ' HB3' HD13 ' A' ' 44' ' ' ILE . 4.1 ptmt -104.91 89.28 3.11 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.246 1.022 . . . . 0.0 108.857 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.516 ' OG1' HG22 ' A' ' 80' ' ' ILE . 3.1 p -47.06 -22.98 0.41 Allowed 'General case' 0 C--O 1.255 1.373 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -169.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -48.29 -69.15 0.13 Allowed 'General case' 0 C--O 1.244 0.8 0 O-C-N 120.927 -1.108 . . . . 0.0 111.025 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.64 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -101.57 16.96 24.07 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.724 -0.61 . . . . 0.0 112.002 172.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 14.0 pttt 46.36 57.14 5.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.815 1.293 . . . . 0.0 110.47 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.64 ' HB2' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -127.42 120.08 27.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 123.147 1.451 . . . . 0.0 112.83 -173.296 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.72 151.07 0.21 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 122.902 1.334 . . . . 0.0 112.321 -174.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.638 HD13 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -141.31 -43.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 122.396 1.093 . . . . 0.0 110.794 -179.046 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.614 ' HB3' HD13 ' A' ' 68' ' ' LEU . . . -140.74 145.54 36.56 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.472 174.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.14 147.27 12.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.971 1.367 . . . . 0.0 112.87 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.472 ' HD2' ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -120.43 123.08 42.15 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.323 172.373 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -145.2 83.83 1.69 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.328 0.585 . . . . 0.0 110.792 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.81 159.39 0.09 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.363 1.554 . . . . 0.0 110.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.48 37.02 0.67 Allowed 'General case' 0 C--O 1.249 1.044 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.364 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -119.44 -7.85 10.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.574 1.178 . . . . 0.0 114.119 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -179.88 110.09 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.944 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.64 -177.07 3.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.01 0.909 . . . . 0.0 111.058 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -137.33 110.4 7.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.062 0.934 . . . . 0.0 111.233 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -164.87 76.84 0.3 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.777 0.799 . . . . 0.0 110.816 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 57' ' ' LYS . 8.5 pt-20 -84.81 -22.56 29.48 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.789 -0.569 . . . . 0.0 112.396 -172.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 34.2 mtmt -149.93 172.34 15.34 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.792 -1.193 . . . . 0.0 111.494 -173.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.73 -23.66 18.84 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.475 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 94.8 m -45.89 -26.46 0.69 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.853 0.835 . . . . 0.0 110.245 173.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.976 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 35.4 m-85 -147.81 110.25 4.64 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.933 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -135.47 144.9 46.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.114 1.435 . . . . 0.0 113.47 -175.288 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -83.64 154.16 23.87 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.866 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.953 ' CD2' HG22 ' A' ' 67' ' ' THR . 93.2 m-85 -127.43 173.41 9.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.158 -0.964 . . . . 0.0 111.047 173.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -68.24 -54.38 18.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.983 0.897 . . . . 0.0 111.007 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -60.88 -14.5 22.57 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.05 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' HA2' HG21 ' A' ' 33' ' ' ILE . . . 99.86 27.54 7.85 Favored Glycine 0 C--O 1.248 1.02 0 O-C-N 121.047 -1.033 . . . . 0.0 111.874 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.953 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.51 167.51 12.53 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.074 -1.251 . . . . 0.0 110.751 172.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.699 HD23 HD12 ' A' ' 19' ' ' LEU . 13.4 tp -135.69 111.58 9.48 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.387 -0.821 . . . . 0.0 111.487 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.934 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -82.52 159.15 22.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.86 0.838 . . . . 0.0 110.714 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.757 HD11 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mt -135.27 117.56 21.76 Favored 'Isoleucine or valine' 0 C--O 1.259 1.594 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.106 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 59' ' ' THR . 7.8 tptm -91.17 136.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.26 101.38 0.01 OUTLIER 'General case' 0 C--O 1.252 1.234 0 C-N-CA 124.432 1.093 . . . . 0.0 113.02 172.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.108 HD21 HD11 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -134.85 -178.57 5.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.479 1.133 . . . . 0.0 111.496 -173.625 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.999 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.5 mttt -151.05 -142.75 0.12 Allowed 'General case' 0 C--O 1.245 0.827 0 C-N-CA 125.123 1.369 . . . . 0.0 109.688 170.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -75.08 -23.19 57.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 123.142 1.448 . . . . 0.0 110.823 165.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.09 -34.55 56.86 Favored 'General case' 0 C--O 1.271 2.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 113.413 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 1.049 ' CB ' ' HB2' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -70.17 -6.07 31.7 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 121.152 1.797 . . . . 0.0 110.279 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.435 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -58.87 132.91 55.36 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.718 1.247 . . . . 0.0 110.916 171.606 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.4 m-20 -151.26 179.33 8.41 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 122.568 1.175 . . . . 0.0 110.672 172.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.53 HG23 ' OD1' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -104.44 145.24 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 122.034 0.921 . . . . 0.0 110.189 173.193 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.976 ' HE2' ' CE1' ' A' ' 60' ' ' TYR . 6.7 m-85 -144.54 163.41 33.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.739 0.781 . . . . 0.0 110.377 -172.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.835 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -160.37 133.79 6.84 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.21 0.529 . . . . 0.0 110.285 172.711 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.926 HG12 ' CE1' ' A' ' 98' ' ' PHE . 7.8 p -102.9 121.49 54.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 122.236 1.017 . . . . 0.0 110.815 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -119.3 107.58 13.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.652 0.739 . . . . 0.0 110.269 174.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.942 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -116.81 119.52 62.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.974 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.378 -171.632 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.56 ' HD2' ' N ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -115.66 158.28 22.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 112.436 -169.597 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -76.4 -173.05 2.34 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 122.052 0.93 . . . . 0.0 111.104 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -26.7 65.65 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 121.603 -0.686 . . . . 0.0 111.895 -178.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -90.34 19.22 5.33 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.098 -1.001 . . . . 0.0 112.48 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.76 13.03 60.62 Favored Glycine 0 C--O 1.249 1.048 0 O-C-N 120.938 -1.101 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 120.13 31.09 Favored 'General case' 0 C--O 1.245 0.82 0 O-C-N 121.093 -1.239 . . . . 0.0 111.427 -174.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.56 ' N ' ' HD2' ' A' ' 86' ' ' TYR . 13.0 p-10 -58.48 94.07 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.81 1.291 . . . . 0.0 110.695 173.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 85' ' ' ILE . 13.1 m -77.47 -26.87 15.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 122.425 1.107 . . . . 0.0 111.993 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 22' ' ' PRO . 53.9 tp -164.97 155.24 13.78 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.394 1.092 . . . . 0.0 110.852 173.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.84 159.33 40.47 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.598 -173.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.835 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -172.69 156.25 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.004 0.907 . . . . 0.0 110.897 -177.689 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.44 152.68 7.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.781 1.277 . . . . 0.0 111.645 -172.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 1.071 ' CE2' HD12 ' A' ' 7' ' ' LEU . 45.6 m-85 -135.63 166.83 22.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.343 1.068 . . . . 0.0 111.674 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 80' ' ' ILE . 1.9 m-20 -155.81 95.24 1.63 Allowed 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.673 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.751 ' CD1' HD21 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.75 146.55 7.83 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.945 0.878 . . . . 0.0 111.269 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -144.9 -177.71 5.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 123.55 1.643 . . . . 0.0 111.012 173.658 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 1.108 HD11 HD21 ' A' ' 73' ' ' LEU . 3.2 mt -151.45 160.12 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.828 170.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 102' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.694 0 CA-C-O 122.001 0.905 . . . . 0.0 110.31 -172.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--O 1.237 0.431 0 CA-C-O 122.974 1.368 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 172.08 7.05 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.413 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 4.5 tp -123.76 107.19 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.868 0.842 . . . . 0.0 110.943 -173.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -66.43 94.51 0.28 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.782 0.801 . . . . 0.0 110.913 174.26 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -90.95 172.82 8.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 110.483 173.763 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.485 ' CH2' ' HD3' ' A' ' 101' ' ' LYS . 93.3 m95 -160.59 148.77 16.33 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.808 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.591 ' HA3' HD12 ' A' ' 73' ' ' LEU . . . -159.97 116.52 0.72 Allowed Glycine 0 C--O 1.241 0.565 0 O-C-N 121.252 -0.905 . . . . 0.0 112.346 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.852 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -61.96 144.94 54.32 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.621 -0.929 . . . . 0.0 110.581 173.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.745 HD12 ' CG2' ' A' ' 102' ' ' ILE . 4.2 mp -57.91 134.04 55.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.601 1.191 . . . . 0.0 111.025 -173.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.69 31.55 44.39 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.216 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.852 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.1 tm0? -116.32 159.19 22.27 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.086 -1.244 . . . . 0.0 110.456 -173.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.24 131.07 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.406 1.098 . . . . 0.0 109.948 173.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -135.77 177.93 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 123.1 1.429 . . . . 0.0 112.604 -170.755 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.64 ' O ' HD22 ' A' ' 19' ' ' LEU . 19.1 m-20 -117.73 177.88 4.6 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 123.343 1.544 . . . . 0.0 111.835 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.109 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 2.2 mm? -135.2 101.07 4.73 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 124.302 1.041 . . . . 0.0 109.268 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -94.57 110.22 22.05 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 123.313 1.53 . . . . 0.0 113.663 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.019 HD12 ' HD2' ' A' ' 22' ' ' PRO . 5.7 tp -72.87 154.77 90.99 Favored Pre-proline 0 C--O 1.246 0.902 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.121 170.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 1.019 ' HD2' HD12 ' A' ' 21' ' ' ILE . 10.0 Cg_endo -46.13 179.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.468 1 C-N-CA 127.241 5.294 . . . . 0.0 114.722 174.77 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.54 30.67 0.99 Allowed 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.838 -1.073 . . . . 0.0 112.224 -175.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -114.75 123.31 48.91 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 121.487 -0.758 . . . . 0.0 110.005 172.326 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.7 173.39 11.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.951 1.358 . . . . 0.0 112.113 -172.494 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.432 ' HA ' HG13 ' A' ' 30' ' ' ILE . 17.1 ptt? -66.53 174.69 2.65 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.887 -1.052 . . . . 0.0 111.221 -174.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -176.89 -61.14 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.962 1.363 . . . . 0.0 110.986 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -94.58 0.02 OUTLIER 'General case' 0 C--O 1.248 0.991 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.06 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.78 ' O ' HG23 ' A' ' 88' ' ' THR . 25.2 m-20 -122.37 27.83 7.72 Favored 'General case' 0 C--O 1.249 1.042 0 O-C-N 121.434 -0.791 . . . . 0.0 111.922 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.752 HD13 ' HB3' ' A' ' 87' ' ' ASP . 5.1 mm -71.95 122.32 24.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 O-C-N 121.213 -0.929 . . . . 0.0 110.252 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.69 -31.63 3.94 Favored 'General case' 0 C--O 1.257 1.481 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -171.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.44 142.1 32.37 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 120.756 -1.215 . . . . 0.0 111.311 -172.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.935 ' HA ' HG23 ' A' ' 85' ' ' ILE . 5.7 mt -148.85 104.25 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.876 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HG3' ' CD ' ' A' ' 46' ' ' GLN . 21.5 tttt -114.64 152.27 32.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.594 1.664 . . . . 0.0 111.999 -173.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 1.109 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.8 m95 -144.17 126.0 15.24 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.296 173.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -132.8 168.52 18.21 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.401 -0.812 . . . . 0.0 111.192 -171.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' NZ ' HG22 ' A' ' 44' ' ' ILE . 2.3 mtmm -83.22 117.66 23.09 Favored 'General case' 0 C--O 1.249 1.074 0 O-C-N 121.336 -0.853 . . . . 0.0 109.022 171.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 82' ' ' LYS . 74.6 p -54.13 -44.79 71.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.989 0.9 . . . . 0.0 111.283 -170.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -61.19 -84.28 0.01 OUTLIER 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.754 0.788 . . . . 0.0 111.383 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.822 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.34 13.61 3.47 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 121.736 -0.602 . . . . 0.0 112.606 -174.029 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.822 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER 51.79 62.89 2.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.035 1.398 . . . . 0.0 110.186 173.451 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.0 tttt -119.38 102.39 8.64 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.199 1.475 . . . . 0.0 112.219 -173.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.796 ' HD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -44.8 130.38 7.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.998 1.38 . . . . 0.0 111.875 176.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.806 HD12 ' CD1' ' A' ' 60' ' ' TYR . 17.4 pt -127.3 -43.07 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 122.367 1.079 . . . . 0.0 110.828 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.871 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -139.65 127.24 21.7 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.311 175.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.766 ' HB3' ' HD3' ' A' ' 43' ' ' LYS . 4.3 tt0 -160.03 147.6 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.415 1.579 . . . . 0.0 113.218 -173.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.759 ' CD1' HG22 ' A' ' 53' ' ' THR . 1.9 m-30 -124.85 122.04 36.27 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 172.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HG2' ' HG2' ' A' ' 46' ' ' GLN . 4.7 ptm180 -158.07 113.22 2.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.812 0.815 . . . . 0.0 111.104 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.8 145.14 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.765 0.793 . . . . 0.0 110.61 -173.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.26 32.43 0.94 Allowed 'General case' 0 C--O 1.248 0.986 0 O-C-N 121.743 -0.598 . . . . 0.0 111.915 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -106.28 -7.84 17.59 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -176.77 135.82 0.23 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.944 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.759 HG22 ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -117.07 158.17 24.63 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.779 0.8 . . . . 0.0 110.926 178.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CD2' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -121.03 97.42 5.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.94 0.876 . . . . 0.0 111.145 177.236 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -162.86 56.25 0.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.195 0.998 . . . . 0.0 110.652 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.79 -31.29 62.49 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.545 -173.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.745 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER -151.55 157.28 42.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.064 0.935 . . . . 0.0 111.176 -174.257 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 4.7 m-20 -72.6 -4.76 32.76 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 176.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.745 HG22 ' HB3' ' A' ' 57' ' ' LYS . 10.3 t -60.68 -25.83 66.66 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.089 -1.007 . . . . 0.0 110.783 174.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.806 ' CD1' HD12 ' A' ' 44' ' ' ILE . 49.6 m-85 -150.07 80.77 1.37 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.634 0.731 . . . . 0.0 110.55 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -107.28 169.45 8.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.388 1.089 . . . . 0.0 112.74 -172.302 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.871 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -111.65 163.32 14.24 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 174.007 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.639 ' CD2' HG22 ' A' ' 67' ' ' THR . 13.3 m-30 -125.59 169.87 12.04 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 121.36 -0.837 . . . . 0.0 111.03 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -63.5 -28.81 70.21 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.379 -0.826 . . . . 0.0 111.612 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -96.84 11.54 35.41 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 121.405 -0.809 . . . . 0.0 112.341 -173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.37 6.95 73.43 Favored Glycine 0 C--O 1.253 1.322 0 O-C-N 120.799 -1.188 . . . . 0.0 112.891 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -88.03 149.18 24.14 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 119.049 1.424 . . . . 0.0 111.218 177.45 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -109.2 148.85 30.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 110.509 172.331 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.45 134.07 55.27 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.554 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.595 HD12 HD11 ' A' ' 17' ' ' ILE . 1.8 mt -121.06 107.31 20.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.081 0.943 . . . . 0.0 110.606 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -82.42 142.46 31.93 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.407 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t60 61.25 110.23 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 123.279 1.514 . . . . 0.0 110.691 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.984 HD21 ' CD1' ' A' ' 100' ' ' LEU . 2.4 tm? -136.31 69.64 1.42 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.062 0.934 . . . . 0.0 112.711 -170.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.634 ' CE ' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -94.34 -171.66 2.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.153 0.978 . . . . 0.0 110.473 170.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.1 m -51.68 -26.87 10.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.28 1.038 . . . . 0.0 111.602 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.634 ' HB3' ' CE ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -76.26 -40.28 52.27 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.632 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.01 14.34 14.22 Favored 'General case' 0 C--O 1.253 1.24 0 O-C-N 121.31 -0.869 . . . . 0.0 112.129 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.825 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.38 126.31 34.79 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 120.822 -1.174 . . . . 0.0 111.245 173.462 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -157.6 160.53 38.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.841 -176.494 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.459 HG22 HG21 ' A' ' 38' ' ' THR . 22.8 mt -86.07 148.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.379 0.609 . . . . 0.0 110.063 173.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.656 ' HE1' ' HB3' ' A' ' 100' ' ' LEU . 96.8 m-85 -140.83 156.01 46.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.847 0.832 . . . . 0.0 111.349 -170.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.787 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 6.2 tttt -146.61 132.55 19.14 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.918 0.866 . . . . 0.0 110.666 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' A' ' 98' ' ' PHE . 4.6 p -104.1 119.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.16 0.981 . . . . 0.0 110.967 -173.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.496 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -124.23 109.89 13.97 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.868 0.842 . . . . 0.0 110.324 178.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.935 HG23 ' HA ' ' A' ' 33' ' ' ILE . 1.5 mt -120.33 118.62 57.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.341 0 O-C-N 121.925 -0.485 . . . . 0.0 110.129 -172.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.667 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 2.6 m-85 -114.88 168.81 9.58 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 120.512 -1.367 . . . . 0.0 112.524 -168.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.752 ' HB3' HD13 ' A' ' 30' ' ' ILE . 10.6 p30 -94.16 -174.61 3.43 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.192 0.996 . . . . 0.0 110.99 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 29' ' ' ASP . 74.8 p -57.87 -26.2 61.77 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 121.431 -0.793 . . . . 0.0 112.149 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -98.23 30.7 3.03 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.034 -1.041 . . . . 0.0 112.121 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.7 49.37 Favored Glycine 0 C--O 1.248 0.981 0 O-C-N 121.241 -0.912 . . . . 0.0 111.999 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 1.1 mtpt -90.33 126.87 36.01 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.16 -1.2 . . . . 0.0 111.48 -173.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.667 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 1.4 t30 -67.5 92.82 0.32 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.111 0.958 . . . . 0.0 110.839 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.722 HG21 HD12 ' A' ' 30' ' ' ILE . 15.1 m -78.18 -27.95 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.368 1.08 . . . . 0.0 112.352 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.614 HD21 ' HG2' ' A' ' 22' ' ' PRO . 28.3 tp -151.94 151.53 31.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.232 1.015 . . . . 0.0 110.999 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.546 ' H ' HD12 ' A' ' 94' ' ' LEU . 4.5 tm-20 -154.58 158.68 40.14 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.708 -174.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.787 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -166.48 160.35 15.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.044 0.926 . . . . 0.0 111.393 -178.665 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.405 ' O ' ' HD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -119.81 134.83 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.933 0.873 . . . . 0.0 110.808 -177.582 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.739 ' HD2' ' CZ3' ' A' ' 35' ' ' TRP . 21.7 m-30 -135.63 160.86 37.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.814 -172.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 9' ' ' THR . 4.5 m-20 -146.28 86.55 1.7 Allowed 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.318 -0.864 . . . . 0.0 111.878 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.984 ' CD1' HD21 ' A' ' 73' ' ' LEU . 1.5 tm? -61.17 108.19 0.86 Allowed 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.529 0.68 . . . . 0.0 110.793 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 99' ' ' ASP . 1.8 mtpm? -104.68 172.07 6.99 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 123.356 1.551 . . . . 0.0 112.12 -174.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.84 ' CD1' HD13 ' A' ' 73' ' ' LEU . 1.2 mm -128.83 151.51 35.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.019 171.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.723 0 CA-C-O 121.937 0.875 . . . . 0.0 111.229 -172.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 121.955 0.883 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.97 169.9 16.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.062 0.934 . . . . 0.0 110.985 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.801 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 14.9 mt -125.46 112.96 16.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.31 1.052 . . . . 0.0 110.994 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.97 102.0 0.32 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.846 0.831 . . . . 0.0 111.019 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 1.035 HG21 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.91 122.29 45.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.516 0.674 . . . . 0.0 110.523 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.51 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 86.2 m95 -118.82 157.72 27.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.924 0.869 . . . . 0.0 112.174 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.2 -171.07 25.62 Favored Glycine 0 C--O 1.24 0.491 0 CA-C-O 122.299 0.944 . . . . 0.0 111.741 173.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.843 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -135.91 153.34 51.48 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 121.732 -0.864 . . . . 0.0 110.712 173.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.618 ' CD1' HG21 ' A' ' 102' ' ' ILE . 5.8 mp -62.1 135.72 57.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.124 1.44 . . . . 0.0 112.676 -171.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.19 43.23 Favored Glycine 0 C--O 1.238 0.364 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.843 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 15.1 tt0 -138.21 146.02 42.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.622 1.201 . . . . 0.0 112.088 -171.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -97.39 135.74 38.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.677 -175.726 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.463 HG12 ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -128.48 157.53 40.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.991 0.9 . . . . 0.0 111.336 -172.369 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -110.44 146.42 35.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.92 1.343 . . . . 0.0 111.703 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.035 ' CD1' HG21 ' A' ' 9' ' ' THR . 0.2 OUTLIER -100.1 96.96 7.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.434 172.598 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.93 117.96 31.62 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 123.609 1.671 . . . . 0.0 111.692 -169.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.994 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.84 154.05 92.9 Favored Pre-proline 0 C--O 1.239 0.541 0 CA-C-O 122.483 1.135 . . . . 0.0 112.123 177.016 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.994 ' HD2' HG12 ' A' ' 21' ' ' ILE . 13.8 Cg_exo -43.39 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.375 1 C-N-CA 127.699 5.6 . . . . 0.0 116.807 174.384 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.07 29.22 0.84 Allowed 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.896 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.606 ' HD2' HD13 ' A' ' 94' ' ' LEU . 2.4 t80 -116.27 123.43 47.69 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.625 -0.672 . . . . 0.0 110.083 171.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -135.32 144.37 46.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.42 1.105 . . . . 0.0 111.773 -172.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.472 ' CE ' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -86.51 166.34 15.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.998 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -124.77 -113.9 0.29 Allowed 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.325 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -90.11 23.34 2.87 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.855 -1.153 . . . . 0.0 111.861 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -108.13 -78.4 0.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.942 1.354 . . . . 0.0 110.939 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.75 HG23 ' O ' ' A' ' 86' ' ' TYR . 1.3 mp -49.08 144.01 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.705 -174.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.5 -31.7 3.22 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.381 -173.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.83 142.95 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.098 . . . . 0.0 111.224 -172.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.042 HG23 HD12 ' A' ' 85' ' ' ILE . 29.3 mt -139.78 104.1 1.88 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.882 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.022 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -110.83 153.77 24.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.236 1.493 . . . . 0.0 112.244 -173.01 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.946 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 49.7 m95 -155.24 131.4 10.21 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.423 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.799 ' C ' HD12 ' A' ' 44' ' ' ILE . 16.8 tt0 -124.5 170.71 10.62 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 111.088 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.929 ' HB3' HD11 ' A' ' 44' ' ' ILE . 14.3 ptmt -105.38 85.09 2.19 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.562 ' OG1' HG22 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -38.4 -37.21 0.28 Allowed 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.069 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 t -49.58 -68.4 0.18 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.991 -1.068 . . . . 0.0 111.412 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -92.79 3.49 55.55 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.659 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 7.8 ttmt 54.26 62.11 2.73 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.627 -1.295 . . . . 0.0 110.405 -177.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.705 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -129.83 121.53 26.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 123.545 1.64 . . . . 0.0 113.879 -172.468 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -42.62 97.29 0.01 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.919 1.342 . . . . 0.0 111.547 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.929 HD11 ' HB3' ' A' ' 37' ' ' LYS . 5.1 mt -82.62 -41.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 123.053 1.406 . . . . 0.0 110.899 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.736 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -171.27 134.38 0.9 Allowed 'General case' 0 C--O 1.253 1.248 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.358 -172.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.543 ' N ' HD21 ' A' ' 62' ' ' LEU . 7.3 tt0 -159.77 142.49 13.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.742 1.258 . . . . 0.0 112.29 -173.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 114.33 17.92 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.709 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.78 101.59 3.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.858 0.837 . . . . 0.0 111.116 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.46 147.38 0.06 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.071 0.939 . . . . 0.0 110.724 -176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.2 34.43 0.87 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.783 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.87 -7.39 13.76 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 172.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 171.72 129.34 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.723 178.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 p -147.5 174.28 11.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.046 0.927 . . . . 0.0 111.079 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -123.13 109.66 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.874 0.845 . . . . 0.0 111.016 -177.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.68 40.87 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.647 0.737 . . . . 0.0 110.919 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.84 24.4 2.06 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.782 -0.574 . . . . 0.0 112.345 -172.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.24 151.72 5.8 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 120.933 -1.105 . . . . 0.0 111.591 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.39 -15.67 39.66 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 174.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.0 m -50.6 -20.68 1.26 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.951 -0.468 . . . . 0.0 110.204 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.847 ' HD1' ' CG2' ' A' ' 70' ' ' ILE . 40.7 m-85 -150.5 85.22 1.37 Allowed 'General case' 0 C--O 1.245 0.822 0 CA-C-O 121.262 0.553 . . . . 0.0 109.787 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -93.17 168.74 10.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.277 1.037 . . . . 0.0 113.408 -170.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.95 ' CD1' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -122.3 143.75 49.42 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.812 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.597 ' HE2' ' HB2' ' A' ' 69' ' ' LYS . 96.8 m-85 -125.37 154.82 41.28 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.356 -0.84 . . . . 0.0 110.817 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -13.35 62.32 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 121.622 -0.674 . . . . 0.0 111.839 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -96.73 26.72 4.33 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.057 -1.027 . . . . 0.0 111.96 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' HA3' HG21 ' A' ' 21' ' ' ILE . . . 77.07 7.02 86.63 Favored Glycine 0 C--O 1.254 1.395 0 O-C-N 121.091 -1.006 . . . . 0.0 113.267 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.449 HG22 ' CD2' ' A' ' 63' ' ' PHE . 3.3 m -88.76 161.53 16.73 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-N 119.133 1.466 . . . . 0.0 111.057 -176.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -138.23 114.67 10.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.5 1.143 . . . . 0.0 112.076 173.546 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.597 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 2.5 tttm -96.83 102.98 14.86 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.279 -0.888 . . . . 0.0 111.354 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -108.72 115.17 48.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 123.641 1.686 . . . . 0.0 110.654 -171.328 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -76.32 148.97 37.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.008 -171.217 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.8 t60 61.06 105.9 0.02 OUTLIER 'General case' 0 C--O 1.242 0.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.016 173.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.875 ' CD1' HD23 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -145.41 101.05 3.54 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -174.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.48 -171.21 1.79 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 126.818 2.047 . . . . 0.0 110.286 166.229 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.465 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.9 m -46.6 -29.95 2.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.345 1.069 . . . . 0.0 112.409 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -86.74 -33.12 20.08 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.149 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.78 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -99.55 23.03 9.98 Favored 'General case' 0 C--O 1.249 1.046 0 O-C-N 121.978 -0.451 . . . . 0.0 111.607 173.788 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.556 ' HB2' HD11 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -104.65 125.8 51.11 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.086 -1.009 . . . . 0.0 110.713 172.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -145.46 172.08 13.72 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.229 1.014 . . . . 0.0 111.59 -173.345 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.562 HG22 ' OG1' ' A' ' 38' ' ' THR . 4.1 mt -91.84 148.6 4.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.201 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.818 ' CD2' HD13 ' A' ' 44' ' ' ILE . 17.0 m-85 -143.92 163.22 34.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.898 0.856 . . . . 0.0 111.08 -171.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 8.5 ttpp -154.52 143.95 21.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.844 0.83 . . . . 0.0 110.663 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.94 HG12 ' HE1' ' A' ' 98' ' ' PHE . 7.3 p -114.95 123.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.279 1.037 . . . . 0.0 111.29 -173.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.413 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 85.5 p -125.55 103.72 8.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.83 0.824 . . . . 0.0 110.572 174.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.042 HD12 HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -112.66 116.25 52.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -173.283 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 30' ' ' ILE . 10.9 m-30 -107.05 164.11 12.42 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.588 1.185 . . . . 0.0 112.675 -169.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.83 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 15.6 p-10 -96.5 -173.89 2.89 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.738 1.256 . . . . 0.0 111.116 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.9 p -64.35 -30.28 71.33 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.868 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -83.24 8.61 12.82 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.213 -0.929 . . . . 0.0 112.394 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.25 19.47 79.81 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.797 -1.189 . . . . 0.0 112.54 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.83 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 2.7 mtpt -90.43 151.39 21.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.061 -1.258 . . . . 0.0 111.395 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 7.6 m-20 -89.05 93.43 9.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.957 0.884 . . . . 0.0 110.707 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 85' ' ' ILE . 2.6 m -80.19 -20.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.606 HD13 ' HD2' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -162.53 145.49 11.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.155 0.979 . . . . 0.0 111.247 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -148.06 141.87 25.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.857 0.837 . . . . 0.0 110.91 -178.2 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -153.38 159.82 42.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.898 0.856 . . . . 0.0 111.031 -174.006 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.06 137.81 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.877 0.846 . . . . 0.0 110.869 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.94 ' HE1' HG12 ' A' ' 83' ' ' VAL . 19.8 m-85 -131.56 170.27 14.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.755 0.788 . . . . 0.0 111.142 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -158.8 100.49 1.6 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.217 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 70' ' ' ILE . 2.5 mp -54.43 145.88 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.377 -0.827 . . . . 0.0 110.746 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.43 163.97 29.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.464 1.126 . . . . 0.0 111.55 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.618 HG21 ' CD1' ' A' ' 13' ' ' LEU . 28.7 mm -115.43 144.22 23.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.84 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.51 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 7.7 tp60 . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 122.018 0.913 . . . . 0.0 111.453 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.879 ' HB3' HD12 ' A' ' 97' ' ' ILE . 1.2 m120 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 121.58 0.705 . . . . 0.0 111.634 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 5' ' ' ASN . . . 179.95 175.31 0.81 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.071 1.415 . . . . 0.0 111.77 173.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.052 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 5.7 mt -140.52 119.75 12.93 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.694 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 91.11 0.08 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.972 0.891 . . . . 0.0 110.881 -176.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.7 135.89 53.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.527 0.68 . . . . 0.0 110.596 -174.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 93.0 m95 -140.64 159.3 42.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.976 0.893 . . . . 0.0 111.508 -172.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.41 170.31 36.38 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.817 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -100.16 158.46 15.84 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 121.957 -0.731 . . . . 0.0 110.458 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.055 HD12 HG21 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -68.88 132.13 46.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.802 1.286 . . . . 0.0 110.973 -173.316 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.07 35.3 34.97 Favored Glycine 0 C--O 1.249 1.083 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.016 -176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.817 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -128.91 152.03 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.239 -1.154 . . . . 0.0 110.842 -172.108 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.538 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -101.46 135.35 43.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.388 1.09 . . . . 0.0 110.636 176.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.612 ' CG2' HD21 ' A' ' 100' ' ' LEU . 8.2 tp -140.82 157.56 23.35 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.761 ' O ' HD12 ' A' ' 19' ' ' LEU . 32.5 m120 -108.03 171.86 7.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.222 1.487 . . . . 0.0 111.949 -173.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.13 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 6.5 mp -127.02 117.12 21.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.302 1.048 . . . . 0.0 110.1 175.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.8 114.3 21.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.815 0.817 . . . . 0.0 109.67 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.038 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -96.24 -76.82 0.03 OUTLIER Pre-proline 0 C--O 1.259 1.56 0 N-CA-C 114.195 1.184 . . . . 0.0 114.195 -169.167 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 1.038 ' HD3' HG23 ' A' ' 21' ' ' ILE . 11.2 Cg_endo -87.43 157.82 8.01 Favored 'Trans proline' 0 N--CA 1.533 3.822 1 C-N-CA 126.762 4.975 . . . . 0.0 117.242 -172.427 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -92.15 23.92 3.57 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -115.39 155.53 27.22 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.412 -0.805 . . . . 0.0 110.62 -172.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.69 91.99 3.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.272 1.034 . . . . 0.0 110.838 176.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 30' ' ' ILE . 7.3 ptt? -60.39 171.74 1.01 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.919 0.866 . . . . 0.0 111.269 -173.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 t -146.18 -123.48 0.07 Allowed 'General case' 0 C--O 1.253 1.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.523 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.7 32.43 0.98 Allowed 'General case' 0 C--O 1.26 1.617 0 O-C-N 120.698 -1.251 . . . . 0.0 112.319 -171.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -115.36 -39.64 3.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.336 -1.478 . . . . 0.0 113.185 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.445 HD12 ' SD ' ' A' ' 26' ' ' MET . 0.2 OUTLIER -87.59 140.79 15.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.273 -173.031 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.47 -30.69 4.49 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.971 -173.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -126.16 155.42 41.76 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.361 1.077 . . . . 0.0 111.213 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.913 HG23 ' CG2' ' A' ' 85' ' ' ILE . 2.2 mt -137.29 160.92 35.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.801 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.665 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -156.24 147.72 22.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 123.248 1.499 . . . . 0.0 112.125 173.834 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 1.13 ' CZ3' HD23 ' A' ' 19' ' ' LEU . 30.0 m95 -139.85 112.22 7.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.132 173.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -94.62 153.42 17.85 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.471 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.608 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 17.4 tttt -98.37 86.78 3.7 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.789 -0.569 . . . . 0.0 110.073 -176.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.638 ' OG1' HG22 ' A' ' 80' ' ' ILE . 23.5 p -66.45 95.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 123.904 1.811 . . . . 0.0 110.861 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 p 179.22 -57.11 0.01 OUTLIER 'General case' 0 C--O 1.237 0.441 0 CA-C-O 123.747 1.737 . . . . 0.0 109.96 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -6.52 19.45 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.269 169.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 60.78 69.72 0.66 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.603 1.192 . . . . 0.0 111.308 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.58 154.37 5.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 124.054 1.883 . . . . 0.0 112.1 172.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.581 ' HB2' ' HE2' ' A' ' 54' ' ' PHE . 8.6 mttt -44.69 146.58 0.73 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-O 123.552 1.644 . . . . 0.0 112.949 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.608 ' CG2' ' HB2' ' A' ' 37' ' ' LYS . 12.7 pt -135.32 -42.93 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.38 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.773 ' CB ' HD21 ' A' ' 62' ' ' LEU . . . -132.17 139.76 48.49 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.541 173.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.665 ' HG3' ' CG ' ' A' ' 34' ' ' LYS . 12.3 tt0 -165.6 150.37 8.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 123.029 1.395 . . . . 0.0 112.407 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 1.012 ' HD1' HD12 ' A' ' 62' ' ' LEU . 3.8 m-85 -126.85 129.56 48.5 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.562 173.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -147.95 102.68 3.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.421 -0.799 . . . . 0.0 111.081 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.1 mttm 63.5 152.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.613 1.673 . . . . 0.0 110.511 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -87.54 37.65 0.79 Allowed 'General case' 0 C--O 1.25 1.097 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.287 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.89 -7.86 13.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.664 1.221 . . . . 0.0 113.959 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.58 149.58 1.28 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.923 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 p -125.54 160.21 30.12 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.353 0.597 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.581 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 1.7 t80 -121.97 87.25 2.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.954 0.883 . . . . 0.0 111.69 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 107.33 0.82 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.245 1.498 . . . . 0.0 110.086 172.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.19 -31.91 62.85 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 121.262 -0.898 . . . . 0.0 111.292 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -159.83 164.67 33.46 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.33 0.586 . . . . 0.0 110.755 -177.114 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' HA ' ' HB3' ' A' ' 61' ' ' LYS . 2.8 m-20 -72.96 -6.93 48.61 Favored 'General case' 0 C--O 1.255 1.348 0 O-C-N 121.613 -0.68 . . . . 0.0 112.491 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.772 HG22 ' HG3' ' A' ' 57' ' ' LYS . 9.2 t -55.43 -26.78 43.88 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.365 -0.834 . . . . 0.0 110.315 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.683 ' CE1' HG23 ' A' ' 70' ' ' ILE . 5.0 m-85 -148.61 86.15 1.52 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.619 0.723 . . . . 0.0 111.058 173.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.9 ptmt -129.2 167.55 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.305 1.05 . . . . 0.0 112.212 -176.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.012 HD12 ' HD1' ' A' ' 47' ' ' PHE . 4.7 mt -104.39 175.25 5.55 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.672 0.789 . . . . 0.0 111.064 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 67' ' ' THR . 65.6 m-85 -130.64 174.98 9.4 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.913 -1.117 . . . . 0.0 111.391 174.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -23.17 64.17 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.693 -0.629 . . . . 0.0 111.75 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -102.12 20.58 16.4 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.175 -0.953 . . . . 0.0 112.019 -175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -7.15 82.3 Favored Glycine 0 C--O 1.253 1.338 0 O-C-N 120.919 -1.113 . . . . 0.0 113.273 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.677 HG22 ' CD2' ' A' ' 63' ' ' PHE . 5.1 m -83.47 153.59 24.37 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.708 -1.466 . . . . 0.0 111.366 -173.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.957 HD23 HD22 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -118.79 132.56 56.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.853 0.835 . . . . 0.0 110.658 172.809 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 ttpt -100.79 134.84 43.17 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.456 0.646 . . . . 0.0 110.834 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.683 HG23 ' CE1' ' A' ' 60' ' ' TYR . 2.0 mt -119.06 108.58 24.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.884 0.849 . . . . 0.0 110.864 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.1 mtpt -86.46 143.35 27.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.747 0.784 . . . . 0.0 111.121 -176.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 60.68 104.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 123.079 1.419 . . . . 0.0 111.159 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.732 ' CD1' HD11 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -138.98 83.4 1.95 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.221 1.01 . . . . 0.0 112.21 -173.039 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -97.26 -163.59 1.06 Allowed 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.274 170.62 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 m -57.6 -28.1 63.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.217 1.008 . . . . 0.0 112.349 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -41.73 14.05 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.532 ' O ' HD22 ' A' ' 73' ' ' LEU . 1.3 m-20 -79.89 -0.28 34.22 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.477 -0.765 . . . . 0.0 112.052 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -83.19 129.14 34.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 120.799 -1.188 . . . . 0.0 110.728 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 68.0 m-20 -149.9 178.74 8.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.438 1.113 . . . . 0.0 111.21 -173.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.638 HG22 ' OG1' ' A' ' 38' ' ' THR . 5.1 mt -103.02 145.91 11.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.547 172.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -139.07 172.91 12.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.759 1.266 . . . . 0.0 111.44 -171.325 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.509 ' HG2' ' N ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -156.47 151.1 25.76 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.616 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.945 HG11 ' HB ' ' A' ' 21' ' ' ILE . 6.9 p -124.28 120.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 122.124 0.964 . . . . 0.0 110.879 -174.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 p -129.54 113.78 15.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.706 0.765 . . . . 0.0 110.407 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.913 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.6 mt -123.82 126.15 72.22 Favored 'Isoleucine or valine' 0 C--O 1.257 1.493 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.932 -173.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.532 ' CD2' ' HA ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -121.24 163.26 18.83 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.472 -1.392 . . . . 0.0 112.468 -168.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.3 p30 -87.68 -173.54 4.37 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 122.294 1.045 . . . . 0.0 110.995 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -26.74 46.36 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.288 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -96.29 24.36 5.82 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.962 -1.086 . . . . 0.0 112.661 -172.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.31 52.96 Favored Glycine 0 C--O 1.248 1.021 0 O-C-N 121.085 -1.009 . . . . 0.0 112.149 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.493 ' O ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.53 121.1 32.18 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.119 -1.224 . . . . 0.0 111.511 -174.079 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 34.6 t-20 -63.3 91.12 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.038 0.923 . . . . 0.0 110.482 173.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 91' ' ' LYS . 3.8 m -80.26 -22.45 11.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.879 0.847 . . . . 0.0 112.754 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.935 HD21 ' HB3' ' A' ' 22' ' ' PRO . 2.5 tp -165.17 141.44 5.57 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.155 0.979 . . . . 0.0 110.702 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.052 0.93 . . . . 0.0 111.071 -172.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 168.24 1.56 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.494 0.664 . . . . 0.0 110.835 173.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.879 HD12 ' HB3' ' A' ' 5' ' ' ASN . 7.2 mt -121.02 151.86 24.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 CA-C-O 121.628 0.728 . . . . 0.0 111.058 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 1.052 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 11.7 m-85 -135.68 166.27 23.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.821 0.819 . . . . 0.0 111.762 -174.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.484 ' OD1' ' HB1' ' A' ' 6' ' ' ALA . 2.9 m-20 -149.61 87.32 1.5 Allowed 'General case' 0 C--O 1.247 0.966 0 O-C-N 121.908 -0.495 . . . . 0.0 110.933 173.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.717 ' CD1' HD21 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -63.8 130.51 44.45 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.371 -0.83 . . . . 0.0 110.799 -177.785 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.556 ' N ' HD13 ' A' ' 100' ' ' LEU . 7.9 mttt -128.95 169.73 14.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.079 1.419 . . . . 0.0 112.137 -173.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 1.055 HG21 HD12 ' A' ' 13' ' ' LEU . 1.5 mm -122.11 150.18 25.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.759 170.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.5 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 10.7 tt0 . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 122.025 0.917 . . . . 0.0 111.045 -172.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 122.918 1.342 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.71 172.08 19.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 123.381 1.562 . . . . 0.0 112.765 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.063 HD23 ' CD2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -117.93 111.37 18.9 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.773 -176.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.25 93.97 5.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.318 1.056 . . . . 0.0 110.654 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.773 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -101.21 148.8 24.68 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.447 -173.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -139.43 152.52 47.11 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.71 -0.619 . . . . 0.0 111.016 -173.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.42 -176.49 32.57 Favored Glycine 0 C--O 1.239 0.462 0 CA-C-O 122.805 1.225 . . . . 0.0 112.243 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' C ' HD13 ' A' ' 102' ' ' ILE . . . -110.88 163.3 13.94 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.676 -0.897 . . . . 0.0 110.57 172.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.877 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.5 mp -77.31 136.96 38.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.928 1.347 . . . . 0.0 111.962 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.93 43.29 Favored Glycine 0 C--O 1.245 0.79 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.544 -175.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.893 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -135.86 129.28 32.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.334 1.064 . . . . 0.0 110.943 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.461 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -78.72 134.73 37.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.261 1.029 . . . . 0.0 110.798 -172.289 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.582 HD13 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -131.02 144.41 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.045 0.926 . . . . 0.0 111.599 -172.235 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.843 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -97.19 -174.23 2.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.696 1.236 . . . . 0.0 111.587 -173.596 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.107 HD12 ' HD2' ' A' ' 98' ' ' PHE . 1.2 mm? -151.53 78.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.706 -173.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.29 101.87 14.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.604 1.193 . . . . 0.0 110.308 -176.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.014 HG23 ' CD ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -77.28 -80.71 0.04 OUTLIER Pre-proline 0 C--O 1.259 1.554 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.92 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 1.014 ' CD ' HG23 ' A' ' 21' ' ' ILE . 10.9 Cg_endo -90.74 161.01 4.18 Favored 'Trans proline' 0 N--CA 1.531 3.687 1 C-N-CA 126.979 5.119 . . . . 0.0 116.721 -172.553 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -92.07 23.75 3.61 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.712 169.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -94.16 176.21 6.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.335 1.064 . . . . 0.0 111.379 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -140.49 81.89 1.83 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.038 0.923 . . . . 0.0 110.84 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.26 156.62 3.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.0 0.905 . . . . 0.0 111.151 -173.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 t -141.65 -121.63 0.1 Allowed 'General case' 0 C--O 1.254 1.293 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.253 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -21.52 24.45 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 120.747 -1.221 . . . . 0.0 111.989 -173.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 88' ' ' THR . 3.7 m-20 -80.64 -26.9 37.41 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.0 -1.062 . . . . 0.0 113.184 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 93' ' ' VAL . 3.0 mm -88.56 136.99 22.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.982 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.855 -174.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -133.28 -40.77 0.9 Allowed 'General case' 0 C--O 1.258 1.508 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.641 ' C ' HD12 ' A' ' 33' ' ' ILE . 72.2 m-20 -107.71 138.2 44.37 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 120.481 -1.387 . . . . 0.0 112.35 -171.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.918 ' HA ' HG23 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -120.19 158.63 22.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.027 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 172.746 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -155.15 146.06 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.316 1.532 . . . . 0.0 112.253 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.899 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 54.4 m95 -146.47 126.2 13.45 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.342 173.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.88 165.66 21.58 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.549 -0.72 . . . . 0.0 110.968 -173.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -88.34 99.67 12.42 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.467 -0.771 . . . . 0.0 109.548 172.677 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 1.005 HG21 HG22 ' A' ' 80' ' ' ILE . 1.2 p -35.61 -50.75 0.62 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -62.68 -73.87 0.1 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.616 0.722 . . . . 0.0 112.077 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.76 18.89 4.35 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -172.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 51.3 63.37 2.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.165 1.46 . . . . 0.0 110.121 172.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.515 ' O ' HG23 ' A' ' 44' ' ' ILE . 4.8 ttmt -118.54 88.87 3.01 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 123.061 1.41 . . . . 0.0 111.813 -172.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.539 ' HB2' ' CD ' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -45.27 102.22 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 173.568 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -93.16 -39.5 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 122.181 0.991 . . . . 0.0 110.962 179.054 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.744 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -144.73 132.85 21.56 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.729 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.539 ' CD ' ' HB2' ' A' ' 43' ' ' LYS . 2.6 mt-30 -158.3 151.92 23.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.886 1.327 . . . . 0.0 112.217 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.487 ' CD1' HG22 ' A' ' 53' ' ' THR . 1.2 m-30 -130.38 108.13 9.76 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.681 173.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -129.96 101.67 5.95 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.609 -0.682 . . . . 0.0 111.121 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.41 153.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.563 1.649 . . . . 0.0 110.47 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.61 40.02 0.87 Allowed 'General case' 0 C--O 1.25 1.093 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.347 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -116.45 -6.99 11.72 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.496 1.141 . . . . 0.0 114.028 172.572 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 6.6 tt0 176.99 119.43 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.989 -176.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.487 HG22 ' CD1' ' A' ' 47' ' ' PHE . 3.3 p -108.72 174.39 5.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.725 0.774 . . . . 0.0 111.001 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HE2' ' O ' ' A' ' 43' ' ' LYS . 3.7 t80 -135.95 99.78 4.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.962 0.887 . . . . 0.0 111.38 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -155.39 68.83 0.68 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.072 0.939 . . . . 0.0 110.484 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -3.62 31.05 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.518 -172.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.637 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -156.77 146.07 20.44 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 120.822 -1.174 . . . . 0.0 111.34 177.305 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -68.07 -24.74 65.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.481 0.658 . . . . 0.0 112.707 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.1 t -49.85 -22.77 1.58 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.705 0.764 . . . . 0.0 110.745 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.691 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 2.5 m-30 -147.91 78.08 1.43 Allowed 'General case' 0 C--O 1.244 0.763 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 172.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.508 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -104.77 152.64 22.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.885 0.85 . . . . 0.0 111.875 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.744 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 4.4 mt -92.93 -177.09 4.4 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.784 0.802 . . . . 0.0 111.119 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.712 ' CD1' HG22 ' A' ' 67' ' ' THR . 2.6 m-85 -144.2 167.33 22.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.915 0.864 . . . . 0.0 110.804 173.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -68.47 -31.56 70.94 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.654 0.74 . . . . 0.0 111.271 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -89.55 11.26 20.08 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.679 -0.638 . . . . 0.0 112.247 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.58 63.87 Favored Glycine 0 C--O 1.252 1.231 0 O-C-N 120.791 -1.193 . . . . 0.0 113.18 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.712 HG22 ' CD1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -89.97 157.68 17.73 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 119.433 1.617 . . . . 0.0 111.201 -176.701 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.2 tp -126.42 152.39 46.43 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 121.581 -0.7 . . . . 0.0 110.415 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.706 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -132.04 157.63 43.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.945 0.879 . . . . 0.0 111.024 176.673 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.896 HG22 HD21 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -134.86 113.75 16.65 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 110.886 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 21.4 tttm -85.31 137.61 32.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.615 0.721 . . . . 0.0 111.887 -173.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.599 ' O ' HD22 ' A' ' 73' ' ' LEU . 18.7 t60 59.91 97.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.475 1.607 . . . . 0.0 110.316 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.896 HD21 HG22 ' A' ' 70' ' ' ILE . 1.9 mm? -130.97 83.75 2.14 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -168.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.11 -175.48 4.82 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 120.856 -1.153 . . . . 0.0 110.459 167.347 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.1 m -61.29 -25.72 67.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.281 1.039 . . . . 0.0 112.179 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -37.0 51.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.053 0.93 . . . . 0.0 110.892 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.54 ' CB ' ' HA ' ' A' ' 73' ' ' LEU . 5.1 m-20 -74.19 -1.34 19.99 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.654 173.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.848 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -82.4 129.73 34.95 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 120.76 -1.212 . . . . 0.0 111.086 172.68 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.94 170.79 16.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.316 1.055 . . . . 0.0 111.337 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.005 HG22 HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER -90.18 139.14 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.601 173.535 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.983 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 25.5 m-85 -134.04 161.52 34.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.42 1.105 . . . . 0.0 110.911 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -146.5 136.18 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.796 0.807 . . . . 0.0 110.656 174.319 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.022 HG22 HD11 ' A' ' 85' ' ' ILE . 7.7 p -112.37 117.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 122.68 1.228 . . . . 0.0 111.086 -173.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.478 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 62.5 p -122.33 121.12 35.98 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.259 174.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.022 HD11 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -131.01 114.34 26.62 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 121.95 -0.469 . . . . 0.0 109.929 -172.692 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 5.4 m-30 -110.8 156.69 20.74 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.682 -1.261 . . . . 0.0 112.415 -167.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.698 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.9 p30 -81.33 -175.54 5.52 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 122.051 0.929 . . . . 0.0 111.176 174.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASP . 71.2 p -56.93 -32.31 65.83 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 121.629 -0.669 . . . . 0.0 112.21 -173.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -94.98 30.66 2.05 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.189 -0.944 . . . . 0.0 112.388 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.86 19.79 59.09 Favored Glycine 0 C--O 1.246 0.858 0 O-C-N 121.227 -0.921 . . . . 0.0 112.401 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 136.87 32.78 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.443 -1.034 . . . . 0.0 111.316 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -74.36 92.23 2.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.17 0.986 . . . . 0.0 110.786 173.523 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.706 HG21 HD11 ' A' ' 30' ' ' ILE . 1.9 m -77.27 -16.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.726 -178.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.549 HD21 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -179.64 149.04 0.36 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.821 0.82 . . . . 0.0 110.977 176.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.78 170.05 23.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.78 0.8 . . . . 0.0 110.995 -173.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.625 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -175.07 168.56 3.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.037 0.923 . . . . 0.0 111.084 179.149 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.401 ' C ' ' HD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -123.69 114.93 43.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-O 121.312 0.577 . . . . 0.0 110.979 -173.218 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 1.107 ' HD2' HD12 ' A' ' 19' ' ' LEU . 5.3 m-30 -111.75 173.21 6.46 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 120.979 -1.076 . . . . 0.0 112.039 -171.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.45 ' OD1' HG12 ' A' ' 80' ' ' ILE . 13.6 t0 -162.96 108.66 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.027 0.918 . . . . 0.0 110.965 -172.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.983 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -76.98 125.54 29.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.584 0.707 . . . . 0.0 110.86 -178.455 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 161.81 19.97 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 124.297 1.999 . . . . 0.0 113.77 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -124.95 158.93 32.3 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.61 169.143 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.787 0 CA-C-O 123.113 1.435 . . . . 0.0 112.713 -171.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 C--O 1.238 0.462 0 CA-C-O 123.047 1.403 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.74 171.91 7.72 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.963 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.886 HD12 ' CE1' ' A' ' 98' ' ' PHE . 26.1 mt -124.62 108.25 11.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.177 0.989 . . . . 0.0 111.389 -173.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.73 107.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.86 0.838 . . . . 0.0 111.03 -175.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.4 137.63 50.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.628 0.728 . . . . 0.0 110.721 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -136.73 142.51 43.06 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 121.454 0.645 . . . . 0.0 111.306 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.636 ' HA3' HD12 ' A' ' 73' ' ' LEU . . . -160.44 132.05 2.82 Favored Glycine 0 C--O 1.243 0.7 0 O-C-N 121.251 -0.905 . . . . 0.0 111.78 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.48 155.28 29.71 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 121.456 -1.026 . . . . 0.0 110.512 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.1 mp -62.28 135.71 57.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.739 1.257 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.93 34.73 33.11 Favored Glycine 0 C--O 1.241 0.543 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.518 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.697 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -131.54 116.04 16.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.133 0.968 . . . . 0.0 110.825 -172.361 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.451 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -78.5 132.93 37.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.517 1.151 . . . . 0.0 110.889 -173.247 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.708 ' CD1' HD13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -125.8 175.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 122.792 1.282 . . . . 0.0 112.177 -171.149 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.424 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -129.1 126.25 38.95 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.974 173.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.897 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.4 OUTLIER -79.72 102.3 8.92 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.845 0.831 . . . . 0.0 110.142 172.755 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.39 -155.98 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.952 0.882 . . . . 0.0 111.028 -171.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.989 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.0 151.26 10.41 Favored Pre-proline 0 C--O 1.242 0.707 0 CA-C-O 121.424 0.631 . . . . 0.0 110.766 -172.244 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.989 ' HD2' HG12 ' A' ' 21' ' ' ILE . 22.8 Cg_exo -43.93 177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.633 4.889 . . . . 0.0 115.491 176.236 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.32 31.84 0.98 Allowed 'General case' 0 C--O 1.246 0.903 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.68 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.82 149.63 23.65 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 121.379 -0.825 . . . . 0.0 110.75 173.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -134.07 119.74 19.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.865 0.84 . . . . 0.0 111.187 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.42 170.35 1.02 Allowed 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.493 0.663 . . . . 0.0 110.919 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -131.37 -125.93 0.2 Allowed 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.546 -0.722 . . . . 0.0 110.444 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -90.75 -10.5 42.72 Favored 'General case' 0 C--O 1.261 1.665 0 O-C-N 120.617 -1.302 . . . . 0.0 112.553 -171.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 88' ' ' THR . 23.8 m-20 -108.37 -5.94 16.47 Favored 'General case' 0 C--O 1.258 1.534 0 O-C-N 120.344 -1.473 . . . . 0.0 113.784 -170.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.24 130.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.74 -178.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.14 -30.33 1.76 Allowed 'General case' 0 C--O 1.257 1.496 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -113.15 149.8 33.09 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.697 -1.252 . . . . 0.0 111.217 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.034 HG21 HD11 ' A' ' 62' ' ' LEU . 4.1 mp -135.83 161.82 37.71 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.729 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 36' ' ' GLU . 14.3 ttpt -157.87 147.99 20.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.723 1.725 . . . . 0.0 112.818 173.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.897 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 47.7 m95 -147.61 109.62 4.5 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.082 173.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 5.3 tt0 -107.29 162.89 13.49 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.736 -0.603 . . . . 0.0 110.797 -173.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.7 ttpm? -90.04 83.26 6.08 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.561 -0.712 . . . . 0.0 109.638 173.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 81' ' ' TYR . 1.1 p -22.49 -62.55 0.04 OUTLIER 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.134 1.373 . . . . 0.0 113.88 -169.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -54.78 24.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.937 0.875 . . . . 0.0 111.068 -175.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.48 -7.66 48.93 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -175.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt 48.45 48.69 19.07 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.621 -1.299 . . . . 0.0 111.009 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -119.99 97.07 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 123.305 1.526 . . . . 0.0 112.228 -173.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.774 ' HD3' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -45.49 102.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 CA-C-O 122.463 1.125 . . . . 0.0 111.589 173.523 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.871 HD12 ' CE1' ' A' ' 60' ' ' TYR . 7.5 pt -93.15 -26.06 4.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.576 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -154.04 144.06 21.96 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.453 -0.78 . . . . 0.0 110.794 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.409 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 6.0 pt20 -171.78 153.28 3.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.784 1.278 . . . . 0.0 112.055 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.974 ' CE1' HG21 ' A' ' 53' ' ' THR . 0.2 OUTLIER -120.71 115.75 23.93 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.803 173.73 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.428 ' HG2' ' HG3' ' A' ' 49' ' ' LYS . 11.4 ttt85 -155.82 134.32 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.561 0.696 . . . . 0.0 110.659 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 1.5 mtpp 66.83 134.22 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.609 0.719 . . . . 0.0 110.537 -172.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.66 33.83 0.91 Allowed 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.571 -0.706 . . . . 0.0 111.892 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.5 -9.69 7.42 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 173.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 176.02 112.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.24 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.974 HG21 ' CE1' ' A' ' 47' ' ' PHE . 16.6 p -112.48 -176.63 2.96 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.626 0.727 . . . . 0.0 111.265 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.468 ' HE1' ' O ' ' A' ' 44' ' ' ILE . 32.0 t80 -132.22 89.94 2.74 Favored 'General case' 0 C--O 1.251 1.183 0 O-C-N 121.626 -0.671 . . . . 0.0 111.192 -174.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.82 10.71 0.14 Allowed 'General case' 0 C--O 1.257 1.467 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -174.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.64 83.81 6.74 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 120.13 1.332 . . . . 0.0 112.028 -173.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.623 ' HB2' HG22 ' A' ' 59' ' ' THR . 7.1 ptmt 179.39 149.75 0.29 Allowed 'General case' 0 C--O 1.257 1.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.552 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.4 -28.64 24.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.325 1.059 . . . . 0.0 112.249 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 57' ' ' LYS . 6.4 t -51.23 -32.61 24.68 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.307 174.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.871 ' CE1' HD12 ' A' ' 44' ' ' ILE . 87.1 m-85 -150.54 105.8 3.35 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.117 172.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.609 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -106.8 160.93 15.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.55 1.167 . . . . 0.0 111.656 178.852 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.034 HD11 HG21 ' A' ' 33' ' ' ILE . 2.5 tp -120.01 124.84 46.88 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 124.354 1.062 . . . . 0.0 110.387 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.872 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 59.9 m-85 -111.78 171.68 7.35 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.673 -1.267 . . . . 0.0 111.252 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.01 67.22 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.822 0.82 . . . . 0.0 110.965 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.746 ' O ' HG21 ' A' ' 21' ' ' ILE . 12.4 p30 -79.05 0.9 26.0 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 121.715 -0.616 . . . . 0.0 112.049 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 23.39 38.25 Favored Glycine 0 C--O 1.25 1.118 0 O-C-N 120.871 -1.143 . . . . 0.0 112.245 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.72 HG22 ' HD2' ' A' ' 63' ' ' PHE . 3.3 m -89.99 158.92 17.14 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.002 -1.293 . . . . 0.0 110.801 173.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 2.5 tp -133.74 104.21 6.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.036 0.922 . . . . 0.0 111.4 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.872 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 14.7 tttt -87.0 102.77 14.72 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 121.689 -0.632 . . . . 0.0 110.779 -173.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.708 HD13 ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -117.26 131.41 70.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 123.231 1.491 . . . . 0.0 109.402 -173.033 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 23.1 tttp -100.44 155.48 17.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.335 -171.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 60.61 107.21 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.207 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.807 ' O ' HD13 ' A' ' 73' ' ' LEU . 1.6 tm? -134.91 69.91 1.45 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.5 -172.49 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.977 0.894 . . . . 0.0 110.623 168.571 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.454 ' HA ' HG13 ' A' ' 102' ' ' ILE . 64.4 m -55.52 -27.84 51.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.181 0.991 . . . . 0.0 112.546 175.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -30.22 30.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.113 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.66 11.12 40.04 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.482 ' HB2' HD11 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -90.66 85.35 6.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.84 -1.162 . . . . 0.0 111.138 174.14 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 80' ' ' ILE . 3.1 m-20 -100.53 171.42 7.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.239 1.019 . . . . 0.0 111.147 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.7 HG23 ' HB3' ' A' ' 99' ' ' ASP . 0.5 OUTLIER -95.55 147.67 5.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.868 172.698 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.867 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 59.3 m-85 -139.77 164.22 30.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.441 1.115 . . . . 0.0 111.607 -171.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.443 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 32.1 ttmt -153.69 131.82 11.84 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.927 0.87 . . . . 0.0 110.83 174.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.036 HG22 HD11 ' A' ' 85' ' ' ILE . 4.5 p -105.58 119.68 55.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 122.438 1.113 . . . . 0.0 111.356 -173.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.09 122.2 37.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.775 0.798 . . . . 0.0 110.303 173.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.036 HD11 HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -131.41 120.86 47.11 Favored 'Isoleucine or valine' 0 C--O 1.255 1.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.912 -173.353 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -118.03 168.57 10.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.897 1.332 . . . . 0.0 112.405 -167.714 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.484 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 9.1 p30 -89.19 -174.78 4.55 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.361 1.077 . . . . 0.0 110.998 176.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASP . 68.7 p -56.58 -24.07 44.98 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.421 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -99.38 25.47 6.93 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.952 -1.093 . . . . 0.0 112.581 -172.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.55 15.19 56.97 Favored Glycine 0 C--O 1.248 1.016 0 O-C-N 121.123 -0.986 . . . . 0.0 111.946 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 11.1 mttt -90.32 119.83 30.94 Favored 'General case' 0 C--O 1.246 0.891 0 O-C-N 121.174 -1.192 . . . . 0.0 111.45 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -60.46 93.47 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.381 1.086 . . . . 0.0 110.648 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 91' ' ' LYS . 1.6 m -84.92 -11.96 11.49 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.453 0.644 . . . . 0.0 112.422 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tp -167.08 149.5 6.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.106 0.955 . . . . 0.0 110.846 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.7 152.94 36.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.926 0.869 . . . . 0.0 111.099 -173.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 1.1 tptm -161.88 162.66 29.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.817 0.817 . . . . 0.0 111.079 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.1 mt -117.76 148.31 20.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.585 0.707 . . . . 0.0 110.978 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.886 ' CE1' HD12 ' A' ' 7' ' ' LEU . 6.4 m-85 -137.37 174.73 10.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.156 0.979 . . . . 0.0 111.116 -178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.7 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -170.17 102.87 0.29 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.528 0.68 . . . . 0.0 111.019 174.142 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.816 HD13 HD21 ' A' ' 19' ' ' LEU . 1.2 tp -54.02 146.1 15.31 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.673 0.749 . . . . 0.0 111.044 174.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.56 171.55 12.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.51 1.148 . . . . 0.0 111.342 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 13' ' ' LEU . 32.5 mm -126.37 146.17 32.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.211 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.783 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -172.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.238 0.469 0 CA-C-O 123.081 1.42 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.62 171.34 8.64 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.02 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.91 HD12 ' CE2' ' A' ' 98' ' ' PHE . 13.8 mt -132.99 100.89 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.593 1.187 . . . . 0.0 111.364 -173.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.3 107.92 0.42 Allowed 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.037 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.94 146.64 32.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.849 0.833 . . . . 0.0 110.98 176.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -142.92 147.4 35.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.647 0.736 . . . . 0.0 110.842 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.734 ' HA3' HD11 ' A' ' 73' ' ' LEU . . . -154.53 175.92 32.49 Favored Glycine 0 C--O 1.239 0.455 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -174.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.722 ' N ' HD12 ' A' ' 73' ' ' LEU . . . -126.86 128.83 47.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.948 0.88 . . . . 0.0 111.04 -174.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.725 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -46.86 122.18 4.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.372 1.558 . . . . 0.0 110.767 174.792 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.725 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 85.31 49.53 4.39 Favored Glycine 0 C--O 1.254 1.35 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.426 -172.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.796 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -142.0 -179.43 6.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 120.851 -1.381 . . . . 0.0 111.155 -173.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.796 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -135.75 121.32 19.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.232 1.015 . . . . 0.0 109.339 169.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.005 HG21 HD11 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -120.17 157.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.711 1.243 . . . . 0.0 112.719 -169.701 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.59 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.68 167.72 9.93 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 123.424 1.583 . . . . 0.0 112.081 173.771 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.843 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -123.48 90.54 3.3 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 124.328 1.051 . . . . 0.0 109.979 172.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -154.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.756 0.789 . . . . 0.0 111.238 -170.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 94' ' ' LEU . 3.4 tp -169.56 155.21 5.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 121.383 0.611 . . . . 0.0 110.951 -172.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 1.011 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 23.1 Cg_exo -44.47 -172.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.303 1 C-N-CA 126.939 5.092 . . . . 0.0 115.465 174.084 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -87.88 30.94 0.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.574 -1.193 . . . . 0.0 112.186 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.682 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -121.14 139.46 53.32 Favored 'General case' 0 C--O 1.244 0.785 0 O-C-N 121.555 -0.716 . . . . 0.0 110.615 172.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.682 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -159.57 161.2 35.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.282 1.039 . . . . 0.0 111.437 -174.423 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.548 ' CE ' HD11 ' A' ' 33' ' ' ILE . 15.5 ptp -70.6 164.93 23.88 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.319 1.057 . . . . 0.0 112.718 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m -156.38 -109.14 0.03 OUTLIER 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.701 -0.625 . . . . 0.0 110.033 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -88.77 -15.28 35.07 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 121.503 -0.748 . . . . 0.0 112.181 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.48 -29.97 9.86 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.744 -1.223 . . . . 0.0 113.484 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -85.08 153.36 3.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 121.658 0.742 . . . . 0.0 110.965 -173.607 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.683 ' OD1' HG22 ' A' ' 88' ' ' THR . 0.3 OUTLIER -137.18 -29.56 0.89 Allowed 'General case' 0 C--O 1.261 1.708 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -172.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -124.98 153.0 43.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 120.572 1.533 . . . . 0.0 111.648 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.865 HG23 HG23 ' A' ' 85' ' ' ILE . 1.6 mt -133.72 160.11 42.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.895 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.839 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.666 ' HG3' ' HG2' ' A' ' 46' ' ' GLN . 6.1 tttm -158.73 144.03 16.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.467 1.603 . . . . 0.0 112.183 176.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.843 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 36.1 m95 -131.94 130.11 41.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.472 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 33.9 tt0 -114.58 159.46 20.4 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.608 -0.683 . . . . 0.0 110.873 -173.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.861 ' NZ ' ' HB2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -104.23 149.16 25.54 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.306 0.574 . . . . 0.0 109.971 -178.377 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.988 HG21 ' CG2' ' A' ' 80' ' ' ILE . 19.8 p -84.72 -53.0 5.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.725 0.774 . . . . 0.0 112.063 -172.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.5 m -44.98 -58.63 3.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.718 0.771 . . . . 0.0 112.095 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.861 ' HB2' ' NZ ' ' A' ' 37' ' ' LYS . 1.6 m-20 -105.88 -0.6 25.02 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HG3' ' OE2' ' A' ' 36' ' ' GLU . 31.2 tttt 57.52 58.58 3.7 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 120.923 -1.111 . . . . 0.0 110.307 -173.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.0 ttmt -142.04 141.56 32.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 123.747 1.737 . . . . 0.0 112.109 -172.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.508 ' HB3' ' HE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.47 151.46 0.17 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 123.322 1.534 . . . . 0.0 112.802 -172.675 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 1.8 mt -128.69 -53.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 122.834 1.302 . . . . 0.0 110.624 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.751 ' CB ' HD13 ' A' ' 62' ' ' LEU . . . -149.71 145.08 26.49 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.397 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.666 ' HG2' ' HG3' ' A' ' 34' ' ' LYS . 14.4 mt-30 -156.13 157.61 36.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.56 1.648 . . . . 0.0 112.892 175.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.719 ' HE1' HG21 ' A' ' 53' ' ' THR . 3.7 m-85 -129.61 130.25 45.4 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.536 172.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -151.14 121.67 7.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.573 -0.704 . . . . 0.0 110.792 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.48 154.27 0.12 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.196 0.998 . . . . 0.0 110.356 -173.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.73 47.67 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.242 1.496 . . . . 0.0 110.686 172.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -124.63 -94.87 0.47 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.872 1.32 . . . . 0.0 109.105 -174.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -117.74 144.17 45.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.698 172.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.719 HG21 ' HE1' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -107.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.143 0.973 . . . . 0.0 112.012 -172.216 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.508 ' HE2' ' HB3' ' A' ' 43' ' ' LYS . 6.5 t80 -123.52 100.97 7.07 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.642 0.734 . . . . 0.0 111.263 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.08 107.43 4.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.747 0.784 . . . . 0.0 111.113 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.4 -38.87 48.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.755 0.788 . . . . 0.0 111.107 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.769 ' HB3' HG22 ' A' ' 59' ' ' THR . 15.0 tptt -165.62 172.64 11.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.797 0.808 . . . . 0.0 110.954 -174.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.87 -30.02 69.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.079 0.942 . . . . 0.0 112.364 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.769 HG22 ' HB3' ' A' ' 57' ' ' LYS . 8.8 t -50.69 -19.27 0.89 Allowed 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.989 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE1' HG23 ' A' ' 70' ' ' ILE . 11.4 m-85 -150.45 101.48 2.96 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 121.391 -0.818 . . . . 0.0 111.261 172.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HE3' ' O ' ' A' ' 62' ' ' LEU . 6.2 tttp -133.29 148.43 51.93 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.937 -1.102 . . . . 0.0 112.359 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.751 HD13 ' CB ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -92.68 159.64 15.35 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.469 0.652 . . . . 0.0 111.432 -176.864 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 86.8 m-85 -129.07 176.65 7.73 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.932 0.872 . . . . 0.0 111.13 173.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.6 -38.61 77.35 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.317 -0.864 . . . . 0.0 111.019 -176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.509 ' O ' HG21 ' A' ' 21' ' ' ILE . 14.5 p30 -79.88 3.25 20.34 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.66 -0.65 . . . . 0.0 112.127 -174.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.68 23.72 48.97 Favored Glycine 0 C--O 1.251 1.16 0 O-C-N 120.85 -1.156 . . . . 0.0 112.284 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.594 HG22 ' CD2' ' A' ' 63' ' ' PHE . 2.3 m -90.22 160.86 15.99 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 120.92 -1.341 . . . . 0.0 110.925 173.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.823 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.9 tp -132.35 116.49 16.93 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.108 -0.995 . . . . 0.0 111.282 172.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.651 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 1.9 tptt -81.82 118.74 23.13 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.694 0.759 . . . . 0.0 111.283 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.707 HD11 ' HG ' ' A' ' 19' ' ' LEU . 2.3 mt -111.38 111.41 36.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.535 0.683 . . . . 0.0 110.189 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -80.31 152.6 28.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.804 0.811 . . . . 0.0 110.943 175.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER 61.58 122.07 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.671 1.701 . . . . 0.0 110.897 -172.43 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 100' ' ' LEU . 2.6 tm? -135.62 61.74 1.65 Allowed 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.995 1.379 . . . . 0.0 111.639 -171.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.721 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.0 -175.0 2.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 122.827 1.299 . . . . 0.0 112.498 173.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.4 m -56.98 -28.29 62.21 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.161 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.06 -43.69 14.84 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.209 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.77 -13.09 62.11 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.87 -0.519 . . . . 0.0 111.856 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.423 ' CG ' HG12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -82.4 115.79 21.58 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.02 -1.05 . . . . 0.0 111.003 -178.226 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.9 177.33 8.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.444 1.116 . . . . 0.0 111.167 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.988 ' CG2' HG21 ' A' ' 38' ' ' THR . 8.0 mt -101.53 149.37 6.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.86 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 172.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 1.037 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 16.3 m-85 -139.85 172.82 12.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 122.017 0.913 . . . . 0.0 110.967 -171.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -151.39 122.28 7.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.942 0.877 . . . . 0.0 110.834 173.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.516 ' CG2' HD11 ' A' ' 85' ' ' ILE . 4.6 p -97.3 115.55 37.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.683 1.23 . . . . 0.0 111.121 -173.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -123.29 111.7 16.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.713 0.768 . . . . 0.0 110.354 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.865 HG23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -124.73 124.9 68.99 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.853 -173.029 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.08 -179.94 3.98 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 120.467 -1.396 . . . . 0.0 112.51 -167.824 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.76 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.4 p-10 -99.32 -168.5 1.62 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.296 1.046 . . . . 0.0 110.688 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.683 HG22 ' OD1' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -62.98 -34.2 77.02 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.329 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -92.34 15.45 13.82 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.643 -0.66 . . . . 0.0 112.392 -173.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.83 23.43 78.01 Favored Glycine 0 C--O 1.25 1.131 0 O-C-N 120.862 -1.149 . . . . 0.0 112.568 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.76 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 5.7 mmmt -90.66 125.11 35.56 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 121.024 -1.28 . . . . 0.0 111.22 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.54 88.89 0.14 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.82 0.819 . . . . 0.0 110.32 172.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 91' ' ' LYS . 6.2 m -84.51 -26.82 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 122.433 1.111 . . . . 0.0 112.363 -173.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -138.93 143.29 38.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.569 1.176 . . . . 0.0 110.189 176.155 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.878 ' N ' HD23 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -158.66 152.03 22.89 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.431 -172.479 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.87 ' HG3' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -174.13 150.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.007 0.908 . . . . 0.0 110.991 -178.648 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.5 151.34 7.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.91 ' CE2' HD12 ' A' ' 7' ' ' LEU . 2.8 m-85 -134.9 166.11 23.76 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.592 -0.693 . . . . 0.0 111.101 -176.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.764 ' OD2' HG12 ' A' ' 80' ' ' ILE . 3.5 m-20 -149.68 90.16 1.68 Allowed 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.608 -0.683 . . . . 0.0 111.236 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.037 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -66.05 125.94 27.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.843 0.83 . . . . 0.0 110.747 177.428 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 166.67 16.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.653 1.216 . . . . 0.0 112.091 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.553 ' CD1' HD13 ' A' ' 73' ' ' LEU . 4.3 mm -124.0 144.38 33.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.805 170.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 26.8 tt0 . . . . . 0 C--N 1.318 -0.77 0 CA-C-O 124.98 2.324 . . . . 0.0 110.453 -172.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.557 ' O ' HD12 ' A' ' 97' ' ' ILE . 13.5 p30 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 121.28 0.562 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.06 172.75 14.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 123.296 1.522 . . . . 0.0 112.22 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.061 HD23 ' CE2' ' A' ' 98' ' ' PHE . 15.7 tp -139.32 122.01 16.39 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.934 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 117.79 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.522 0.677 . . . . 0.0 111.083 175.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.457 ' HB ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -118.83 116.18 25.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.644 0.735 . . . . 0.0 110.557 -176.694 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -104.01 156.13 18.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.195 0.998 . . . . 0.0 112.501 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.31 -174.49 30.17 Favored Glycine 0 C--O 1.239 0.446 0 CA-C-O 122.378 0.988 . . . . 0.0 111.595 173.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.0 158.83 43.34 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 121.739 -0.859 . . . . 0.0 110.389 173.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 102' ' ' ILE . 3.5 mp -79.31 138.06 37.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.712 1.72 . . . . 0.0 113.186 -172.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.93 34.33 38.54 Favored Glycine 0 N--CA 1.466 0.65 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -173.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.582 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 4.0 tp60 -164.58 152.95 12.47 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 124.679 2.18 . . . . 0.0 115.13 -168.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.582 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -79.39 157.32 27.63 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 123.506 1.622 . . . . 0.0 112.546 -171.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.457 HD11 ' HB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -146.04 139.47 20.82 Favored 'Isoleucine or valine' 0 C--O 1.25 1.094 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.96 172.694 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -104.27 158.35 16.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.56 1.648 . . . . 0.0 112.593 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.097 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -117.65 69.07 0.77 Allowed 'General case' 0 C--O 1.242 0.704 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.703 -177.124 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.41 104.54 14.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.508 1.147 . . . . 0.0 109.867 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.031 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -96.36 -54.75 0.21 Allowed Pre-proline 0 C--O 1.264 1.853 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -169.473 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 1.031 ' HD3' HG23 ' A' ' 21' ' ' ILE . 25.3 Cg_endo -80.45 142.27 14.63 Favored 'Trans proline' 1 N--CA 1.536 4.009 1 C-N-CA 126.124 4.549 . . . . 0.0 117.893 -170.728 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 t -93.69 21.37 6.49 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 124.08 0.952 . . . . 0.0 111.06 172.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -123.33 172.27 8.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.212 1.006 . . . . 0.0 111.735 -170.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.2 106.57 6.44 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.892 0.853 . . . . 0.0 110.882 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.17 159.93 1.18 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.306 1.05 . . . . 0.0 111.282 -173.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.71 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.8 1.286 . . . . 0.0 112.053 -173.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.58 -98.22 0.03 OUTLIER 'General case' 0 C--O 1.254 1.332 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.937 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.851 ' O ' HG23 ' A' ' 88' ' ' THR . 3.8 m-20 -127.44 16.98 7.06 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.834 -1.166 . . . . 0.0 112.46 -172.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.501 HD12 HG21 ' A' ' 93' ' ' VAL . 9.5 mm -64.38 124.71 19.71 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 O-C-N 120.989 -1.069 . . . . 0.0 110.693 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -123.82 -39.16 2.42 Favored 'General case' 0 C--O 1.258 1.532 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -172.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.46 151.04 29.04 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.535 -1.353 . . . . 0.0 111.868 -171.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.906 ' HA ' HG23 ' A' ' 85' ' ' ILE . 2.5 mt -140.76 117.01 7.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.815 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.31 150.79 39.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.595 1.188 . . . . 0.0 111.371 -173.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 1.097 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.3 m95 -146.43 117.21 7.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.644 173.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.62 ' C ' HD12 ' A' ' 44' ' ' ILE . 4.0 mt-10 -105.2 162.28 13.54 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.397 0.618 . . . . 0.0 110.8 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.922 ' HB2' HD11 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -101.09 107.93 19.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.624 0.726 . . . . 0.0 109.806 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 1.094 ' CG2' HG22 ' A' ' 80' ' ' ILE . 6.4 p -50.38 -35.11 26.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.269 -171.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.4 m -53.37 -76.02 0.03 OUTLIER 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.561 0.696 . . . . 0.0 111.35 -173.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.53 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -95.95 12.26 31.0 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 121.657 -0.652 . . . . 0.0 111.974 -177.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.38 56.14 8.13 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.986 -1.071 . . . . 0.0 110.219 -173.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.1 mmmt -134.8 128.82 33.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.977 1.37 . . . . 0.0 111.221 -173.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -43.08 152.65 0.11 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 123.923 1.82 . . . . 0.0 113.413 -172.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.922 HD11 ' HB2' ' A' ' 37' ' ' LYS . 39.8 mt -130.65 -49.31 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 122.744 1.259 . . . . 0.0 110.595 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -154.37 134.4 13.11 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.341 -174.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.51 145.86 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.062 1.411 . . . . 0.0 112.627 -173.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.536 ' HD1' HG22 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.1 137.47 49.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.59 172.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.61 86.58 0.31 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.486 0.66 . . . . 0.0 110.89 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 65.85 155.67 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.541 1.162 . . . . 0.0 110.131 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.79 44.32 1.11 Allowed 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.33 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.64 -10.09 14.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.742 1.258 . . . . 0.0 113.937 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 169.4 125.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.863 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.536 HG22 ' HD1' ' A' ' 47' ' ' PHE . 5.1 p -136.99 162.33 33.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.025 0.917 . . . . 0.0 111.234 -175.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -113.76 103.93 11.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.822 0.82 . . . . 0.0 110.947 -179.235 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -153.84 97.57 2.1 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.54 -54.67 6.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.577 0.703 . . . . 0.0 111.31 -175.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 176.69 12.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.331 1.063 . . . . 0.0 110.816 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.29 -35.63 75.99 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.895 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.439 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 89.3 m -54.04 -16.78 2.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.367 -173.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.627 ' HE1' ' CE1' ' A' ' 81' ' ' TYR . 28.2 m-85 -147.79 88.71 1.7 Allowed 'General case' 0 C--O 1.251 1.173 0 O-C-N 121.652 -0.655 . . . . 0.0 110.538 173.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.824 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -106.06 159.58 15.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.238 1.494 . . . . 0.0 112.156 -172.774 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.732 HD11 HG22 ' A' ' 33' ' ' ILE . 13.4 tp -117.53 129.81 56.03 Favored 'General case' 0 C--O 1.251 1.142 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.611 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.824 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 22.3 m-30 -101.68 174.01 6.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.294 1.045 . . . . 0.0 111.214 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -72.73 -33.62 66.52 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-O 121.735 0.779 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -84.56 2.98 38.8 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 121.829 -0.545 . . . . 0.0 112.185 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.683 ' HA2' HG21 ' A' ' 33' ' ' ILE . . . 87.19 18.3 57.72 Favored Glycine 0 C--O 1.251 1.186 0 O-C-N 120.822 -1.174 . . . . 0.0 112.774 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.623 ' HB ' ' HD2' ' A' ' 63' ' ' PHE . 2.8 m -90.14 146.88 23.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.851 -1.382 . . . . 0.0 110.921 173.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.723 HD23 ' HG ' ' A' ' 19' ' ' LEU . 1.4 tp -120.93 127.64 52.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 110.911 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.18 145.22 30.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.022 0.915 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.711 HD11 ' CE2' ' A' ' 81' ' ' TYR . 4.3 mt -112.75 98.76 7.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 171.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 24.1 tttt -77.11 134.82 38.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 124.038 1.875 . . . . 0.0 115.586 -167.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.7 t60 39.67 90.68 0.01 OUTLIER 'General case' 0 C--O 1.252 1.206 0 C-N-CA 125.886 1.674 . . . . 0.0 114.716 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.754 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -179.37 175.87 0.88 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 125.586 2.612 . . . . 0.0 114.975 170.7 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.601 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.51 -155.96 0.51 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-N 113.663 -1.608 . . . . 0.0 113.112 -172.757 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.447 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.7 m -45.4 -27.29 0.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 0.0 112.712 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -49.13 73.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 1.1 m-20 -70.83 -11.34 60.9 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.142 173.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 1.026 ' HG2' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -87.92 100.72 13.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.621 1.2 . . . . 0.0 110.305 178.553 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.909 ' C ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -135.4 168.99 18.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.95 1.357 . . . . 0.0 111.563 178.701 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.094 HG22 ' CG2' ' A' ' 38' ' ' THR . 96.4 mt -84.45 142.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 122.65 1.214 . . . . 0.0 110.699 175.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.711 ' CE2' HD11 ' A' ' 70' ' ' ILE . 96.8 m-85 -137.38 168.76 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.941 0.877 . . . . 0.0 110.849 -172.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.47 ' CG ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -150.45 135.58 17.78 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 121.445 0.641 . . . . 0.0 110.429 173.399 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.095 HG23 HD11 ' A' ' 85' ' ' ILE . 1.4 p -117.74 128.32 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.596 1.189 . . . . 0.0 111.535 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.769 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 61.4 p -134.65 106.91 7.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.779 0.8 . . . . 0.0 110.494 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.095 HD11 HG23 ' A' ' 83' ' ' VAL . 2.1 mm -110.78 119.17 58.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.72 -173.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.769 ' HE1' ' HB2' ' A' ' 84' ' ' SER . 1.0 OUTLIER -110.03 171.02 7.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.905 1.336 . . . . 0.0 112.601 -167.475 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.635 ' HB3' HG11 ' A' ' 93' ' ' VAL . 41.3 p-10 -93.99 -168.4 1.87 Allowed 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.857 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 29' ' ' ASP . 36.8 p -59.46 -28.23 66.8 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.988 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -90.71 3.85 53.15 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 121.167 -0.958 . . . . 0.0 112.62 -173.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.08 1.94 90.45 Favored Glycine 0 C--O 1.252 1.275 0 O-C-N 120.734 -1.229 . . . . 0.0 112.75 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.748 -1.442 . . . . 0.0 111.902 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -72.45 86.06 1.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.819 0.819 . . . . 0.0 110.315 172.563 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 87' ' ' ASP . 1.7 m -77.31 -23.3 14.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.277 1.036 . . . . 0.0 112.629 -172.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -147.97 145.38 28.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.181 0.991 . . . . 0.0 109.598 173.721 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.952 ' N ' HD13 ' A' ' 94' ' ' LEU . 2.1 tm-20 -155.03 164.97 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.271 1.51 . . . . 0.0 112.899 -171.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.575 ' N ' ' HG2' ' A' ' 95' ' ' GLU . 5.3 mttp -178.4 158.1 1.08 Allowed 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.746 173.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -112.7 159.57 12.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 O-C-N 121.631 -0.668 . . . . 0.0 110.473 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 1.061 ' CE2' HD23 ' A' ' 7' ' ' LEU . 3.8 m-85 -138.48 168.5 19.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.763 1.268 . . . . 0.0 113.082 -171.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.758 ' CG ' HG12 ' A' ' 80' ' ' ILE . 4.0 t0 -157.36 113.85 2.95 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 122.609 1.195 . . . . 0.0 112.04 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.026 ' HB2' ' HG2' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -42.48 160.92 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.88 1.8 . . . . 0.0 115.38 173.253 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.846 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 4.3 mmpt? -159.79 171.37 19.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.261 -1.336 . . . . 0.0 110.582 165.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.717 HG21 ' CD1' ' A' ' 13' ' ' LEU . 3.3 mm -150.76 138.21 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 122.427 1.108 . . . . 0.0 109.491 169.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 122.799 1.285 . . . . 0.0 111.966 -170.649 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.65 ' O ' HD12 ' A' ' 97' ' ' ILE . 35.4 m-80 . . . . . 0 CA--C 1.511 -0.549 0 CA-C-O 122.019 0.914 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.4 172.9 17.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.248 1.023 . . . . 0.0 111.142 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.905 HD23 ' CD2' ' A' ' 98' ' ' PHE . 49.3 tp -138.58 95.94 3.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.886 0.85 . . . . 0.0 110.949 -176.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 103.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.851 0.834 . . . . 0.0 110.901 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.712 HG22 ' HA ' ' A' ' 100' ' ' LEU . 1.2 m -109.26 140.05 43.41 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.424 0.63 . . . . 0.0 110.502 -177.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.441 ' CE2' ' HD2' ' A' ' 101' ' ' LYS . 86.0 m95 -137.9 141.5 40.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.786 0.803 . . . . 0.0 111.659 -172.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.79 -136.95 2.94 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.914 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . . . -169.01 146.72 3.75 Favored 'General case' 0 C--O 1.241 0.65 0 O-C-N 121.647 -0.914 . . . . 0.0 111.579 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.998 HD13 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -66.33 122.17 16.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.959 1.838 . . . . 0.0 110.212 172.808 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.872 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 94.04 32.05 7.73 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.914 ' HG3' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -117.59 -173.96 2.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 124.568 2.128 . . . . 0.0 114.326 -169.553 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.56 120.59 6.68 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.966 171.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.658 HG22 HD11 ' A' ' 73' ' ' LEU . 15.5 tt -149.2 163.59 4.33 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.713 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -113.03 161.33 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.732 1.73 . . . . 0.0 112.859 -172.82 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.099 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -102.27 122.47 44.28 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.841 173.186 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.01 -155.23 0.46 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.979 0.895 . . . . 0.0 111.106 -171.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.994 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -168.95 150.58 4.53 Favored Pre-proline 0 C--O 1.245 0.835 0 CA-C-O 121.388 0.614 . . . . 0.0 110.584 -173.427 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 1.054 ' HG3' HD21 ' A' ' 94' ' ' LEU . 10.0 Cg_endo -46.84 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 127.041 5.161 . . . . 0.0 114.565 176.208 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.06 29.92 0.8 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.566 -174.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.71 123.99 49.85 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 121.647 -0.658 . . . . 0.0 110.06 171.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.96 151.08 39.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.58 1.181 . . . . 0.0 111.203 -172.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.832 ' HG2' HD12 ' A' ' 30' ' ' ILE . 2.5 mtp -89.58 164.77 14.63 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.997 0.903 . . . . 0.0 110.996 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 p -156.41 -120.86 0.03 OUTLIER 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.113 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.46 20.26 4.67 Favored 'General case' 0 C--O 1.254 1.305 0 O-C-N 120.842 -1.161 . . . . 0.0 111.828 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 88' ' ' THR . 97.7 m-20 -124.22 -45.46 1.97 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.532 1.158 . . . . 0.0 112.816 -173.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.832 HD12 ' HG2' ' A' ' 26' ' ' MET . 1.2 mt -73.1 135.53 27.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.691 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -21.25 4.37 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' A' ' 86' ' ' TYR . 5.2 t70 -122.81 143.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 123.059 1.409 . . . . 0.0 111.977 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.021 HG23 ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -132.38 155.65 41.63 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.487 173.501 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.609 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 4.9 mttp -157.61 142.63 16.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 123.254 1.502 . . . . 0.0 111.767 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 68' ' ' LEU . 38.3 m95 -142.34 120.82 12.44 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.55 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 43' ' ' LYS . 3.4 mt-10 -131.71 176.81 8.01 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 121.5 -0.75 . . . . 0.0 111.12 -173.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.642 ' HD3' ' HB3' ' A' ' 42' ' ' LYS . 1.0 OUTLIER -86.36 141.15 29.41 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 121.573 -0.705 . . . . 0.0 109.692 172.002 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 1.077 ' CG2' HG22 ' A' ' 80' ' ' ILE . 25.8 p -69.11 -58.36 4.18 Favored 'General case' 0 C--O 1.244 0.789 0 O-C-N 121.316 -0.865 . . . . 0.0 111.457 -170.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.01 -35.13 10.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.119 0.961 . . . . 0.0 110.776 -173.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.14 -28.89 68.51 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.733 0.777 . . . . 0.0 110.923 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp 55.49 60.2 3.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.944 0.878 . . . . 0.0 110.756 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 37' ' ' LYS . 5.5 tttt -138.76 121.37 16.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.521 1.153 . . . . 0.0 111.468 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HA ' ' CG ' ' A' ' 36' ' ' GLU . 10.3 mttp -49.33 158.84 0.36 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.781 1.277 . . . . 0.0 111.876 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.772 HG23 ' CG ' ' A' ' 60' ' ' TYR . 47.1 mt -138.51 -50.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 123.15 1.452 . . . . 0.0 110.511 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.703 ' CB ' HD13 ' A' ' 62' ' ' LEU . . . -151.2 131.38 13.55 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 -176.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.609 ' HG3' ' HG2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -162.3 141.97 9.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.236 1.493 . . . . 0.0 113.225 -172.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.851 ' CD1' HG21 ' A' ' 53' ' ' THR . 0.3 OUTLIER -126.06 120.11 29.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.372 172.381 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.711 ' H ' HG22 ' A' ' 53' ' ' THR . 8.4 ttm180 -138.33 96.27 3.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.388 -0.82 . . . . 0.0 111.16 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? 68.38 156.88 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.625 1.202 . . . . 0.0 110.269 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.89 38.34 0.8 Allowed 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.045 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.84 -7.93 9.93 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 172.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 50.5 tt0 176.29 113.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.068 -174.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.851 HG21 ' CD1' ' A' ' 47' ' ' PHE . 30.4 p -148.74 168.96 21.52 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.658 0.742 . . . . 0.0 110.952 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -160.13 132.84 6.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 -173.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -170.15 33.43 0.02 OUTLIER 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.811 -0.556 . . . . 0.0 111.408 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -90.14 83.15 6.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.844 0.83 . . . . 0.0 111.388 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.9 mtmt 179.67 129.66 0.08 Allowed 'General case' 0 C--O 1.251 1.181 0 O-C-N 121.889 -0.507 . . . . 0.0 110.875 173.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.16 -35.01 61.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.542 1.163 . . . . 0.0 111.262 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 70' ' ' ILE . 57.3 m -52.03 -26.19 10.27 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.356 173.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.772 ' CG ' HG23 ' A' ' 44' ' ' ILE . 1.6 m-30 -151.06 93.84 1.98 Allowed 'General case' 0 C--O 1.26 1.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 174.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 68' ' ' LEU . 6.6 ttpt -134.85 150.28 50.45 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.613 -1.304 . . . . 0.0 113.243 -173.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.703 HD13 ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.19 168.48 12.71 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.854 0.862 . . . . 0.0 111.22 -176.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 1.046 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 69.6 m-85 -135.2 176.66 8.46 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.101 -0.999 . . . . 0.0 111.05 172.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.47 83.39 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.778 0.799 . . . . 0.0 111.002 177.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.538 ' O ' HG21 ' A' ' 21' ' ' ILE . 19.0 p30 -86.24 7.68 24.22 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 121.761 -0.587 . . . . 0.0 112.141 -174.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.56 22.27 58.65 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.879 -1.138 . . . . 0.0 112.577 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 63' ' ' PHE . 1.1 m -90.21 146.08 24.53 Favored 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.015 -1.285 . . . . 0.0 110.874 173.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.821 HD22 ' HB3' ' A' ' 35' ' ' TRP . 48.6 tp -112.78 102.46 10.49 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.627 -0.671 . . . . 0.0 111.786 173.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 1.046 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 7.8 tttp -78.98 120.31 23.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.336 -0.852 . . . . 0.0 111.284 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.099 HD11 HD22 ' A' ' 19' ' ' LEU . 7.8 mt -108.05 108.08 24.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.011 0.91 . . . . 0.0 110.268 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -98.3 145.88 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.792 0.806 . . . . 0.0 112.686 -172.56 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.524 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 8.6 t-160 60.6 109.82 0.02 OUTLIER 'General case' 0 C--O 1.244 0.81 0 CA-C-O 122.492 1.139 . . . . 0.0 111.964 177.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.106 ' HB3' ' CB ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -140.83 -176.52 4.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 123.762 1.744 . . . . 0.0 112.112 -176.418 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.998 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -153.41 -142.92 0.12 Allowed 'General case' 0 C--O 1.245 0.846 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.806 172.758 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.459 ' N ' ' HB2' ' A' ' 13' ' ' LEU . 17.2 m -79.53 -25.5 41.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 123.548 1.642 . . . . 0.0 110.449 164.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -82.55 -15.91 50.53 Favored 'General case' 0 C--O 1.263 1.792 0 C-N-CA 124.44 1.096 . . . . 0.0 112.92 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 1.106 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 15.4 t70 -69.89 -29.25 66.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 120.319 1.418 . . . . 0.0 110.549 173.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.557 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 6.5 tt0 -50.07 129.85 21.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.685 1.231 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 1.1 t70 -163.16 168.37 20.87 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.164 0.983 . . . . 0.0 110.763 175.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.077 HG22 ' CG2' ' A' ' 38' ' ' THR . 2.4 mp -96.31 146.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.381 1.086 . . . . 0.0 110.372 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.725 ' CD2' HD21 ' A' ' 19' ' ' LEU . 47.6 m-85 -140.66 164.21 30.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.805 0.812 . . . . 0.0 110.693 -171.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.56 134.38 12.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 121.664 0.745 . . . . 0.0 110.58 173.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.893 HG12 ' CE1' ' A' ' 98' ' ' PHE . 5.7 p -107.86 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 122.498 1.142 . . . . 0.0 111.226 -173.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.516 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -120.73 118.03 29.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.766 0.827 . . . . 0.0 110.317 175.664 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.021 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -129.9 119.44 47.33 Favored 'Isoleucine or valine' 0 C--O 1.247 0.964 0 O-C-N 121.821 -0.55 . . . . 0.0 110.052 -173.673 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.528 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 1.4 m-85 -113.57 159.67 19.36 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.725 1.25 . . . . 0.0 112.775 -168.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -84.25 -171.64 3.73 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.12 0.962 . . . . 0.0 111.065 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 29' ' ' ASP . 71.1 p -56.2 -36.55 68.53 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.084 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -86.27 20.14 2.48 Favored 'General case' 0 C--O 1.254 1.313 0 O-C-N 121.207 -0.933 . . . . 0.0 112.685 -172.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.6 11.79 60.54 Favored Glycine 0 C--O 1.25 1.117 0 O-C-N 120.883 -1.136 . . . . 0.0 112.192 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -87.26 134.84 33.5 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.935 -1.332 . . . . 0.0 111.305 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.528 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 43.9 t30 -72.46 87.46 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.179 0.99 . . . . 0.0 110.537 173.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.9 m -75.95 -22.02 15.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.195 0.998 . . . . 0.0 112.387 -173.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.054 HD21 ' HG3' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -154.94 144.38 21.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.439 1.114 . . . . 0.0 110.748 173.842 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.699 ' H ' HD22 ' A' ' 94' ' ' LEU . 5.3 pt-20 -155.51 147.16 23.07 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.417 -174.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.727 ' HB3' ' HE1' ' A' ' 98' ' ' PHE . 26.6 tttt -165.91 160.19 16.55 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.503 1.144 . . . . 0.0 111.47 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 5' ' ' ASN . 3.0 mt -112.56 140.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.167 0.984 . . . . 0.0 110.814 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.905 ' CD2' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -134.41 154.68 51.25 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.884 -173.073 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.594 ' OD1' HG23 ' A' ' 80' ' ' ILE . 3.4 m-20 -142.34 86.46 1.96 Allowed 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.477 -0.764 . . . . 0.0 111.167 -172.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.712 ' HA ' HG22 ' A' ' 9' ' ' THR . 4.0 tp -70.03 119.43 14.22 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.39 -0.819 . . . . 0.0 110.871 -175.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.557 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 24.4 mttm -116.48 174.45 6.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 123.221 1.486 . . . . 0.0 111.864 -173.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' ' 12' ' ' ALA . 5.9 mm -134.57 143.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.762 170.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 122.794 1.283 . . . . 0.0 111.8 -170.901 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.484 0 CA-C-O 123.056 1.408 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.04 175.72 5.38 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.183 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.773 HD12 ' CE2' ' A' ' 98' ' ' PHE . 11.6 mt -106.16 104.71 14.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.865 0.84 . . . . 0.0 110.938 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.34 110.15 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.636 0.731 . . . . 0.0 111.123 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.901 HG21 HD22 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -115.14 128.98 56.54 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 179.141 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -123.39 149.72 44.62 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 121.646 -0.659 . . . . 0.0 110.881 -173.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.06 -175.78 31.42 Favored Glycine 0 C--O 1.239 0.433 0 CA-C-O 122.796 1.22 . . . . 0.0 112.367 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -115.18 170.65 8.21 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 121.671 -0.899 . . . . 0.0 110.744 173.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.799 ' CD1' HG21 ' A' ' 102' ' ' ILE . 5.1 mp -80.01 132.5 36.01 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.25 1.024 . . . . 0.0 112.378 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 37.34 23.74 Favored Glycine 0 N--CA 1.468 0.776 0 CA-C-O 123.32 1.511 . . . . 0.0 109.381 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.593 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 6.1 tt0 -131.74 132.09 43.56 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.756 1.265 . . . . 0.0 113.106 -170.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.55 134.53 36.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.899 176.295 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.871 ' CG2' HD21 ' A' ' 100' ' ' LEU . 5.9 tp -139.59 156.58 26.42 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 CA-C-O 121.333 0.587 . . . . 0.0 110.698 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.815 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.5 m120 -116.54 -179.27 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.626 1.679 . . . . 0.0 112.465 -172.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.88 HD13 ' CZ3' ' A' ' 35' ' ' TRP . 30.0 mt -139.39 127.52 22.47 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.742 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -119.51 116.77 26.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.898 1.332 . . . . 0.0 111.958 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.555 ' CG1' ' HD2' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -78.8 151.05 76.34 Favored Pre-proline 0 C--O 1.24 0.554 0 CA-C-O 122.029 0.919 . . . . 0.0 111.546 175.162 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.555 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 36.6 Cg_exo -46.3 -174.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.351 1 C-N-CA 127.158 5.238 . . . . 0.0 115.487 174.306 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -89.37 30.8 0.95 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.364 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.764 ' O ' HD22 ' A' ' 94' ' ' LEU . 8.2 m-30 -128.06 83.46 2.16 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 121.445 -0.784 . . . . 0.0 110.217 172.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 170.83 9.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.47 1.128 . . . . 0.0 111.639 -172.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.441 ' HB3' ' CG2' ' A' ' 30' ' ' ILE . 3.3 ptp -57.62 155.03 10.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.049 0.928 . . . . 0.0 111.069 -175.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -173.57 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 123.027 1.394 . . . . 0.0 110.892 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.68 -70.06 0.31 Allowed 'General case' 0 C--O 1.247 0.972 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.652 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -139.22 23.97 2.53 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 121.043 -1.035 . . . . 0.0 112.353 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 26' ' ' MET . 0.5 OUTLIER -79.15 133.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 121.052 -1.03 . . . . 0.0 110.555 173.623 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.95 -26.67 2.87 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -172.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.452 ' O ' HG22 ' A' ' 85' ' ' ILE . 3.6 t70 -105.5 140.01 39.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 120.752 -1.218 . . . . 0.0 111.304 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.96 HG23 ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -132.97 151.59 34.53 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.723 173.756 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 46' ' ' GLN . 4.8 ttpt -153.12 148.69 27.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 123.517 1.627 . . . . 0.0 112.131 173.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.88 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 48.9 m95 -144.78 109.1 4.84 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.059 174.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.565 ' OE2' ' HG2' ' A' ' 41' ' ' LYS . 3.8 tt0 -104.58 156.12 18.24 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.252 0.549 . . . . 0.0 110.791 -173.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.683 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 9.8 ttpt -88.97 83.92 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.365 0.602 . . . . 0.0 109.396 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.585 HG23 ' CA ' ' A' ' 81' ' ' TYR . 18.7 p -48.01 -23.65 0.86 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -169.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -47.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.264 -0.898 . . . . 0.0 111.74 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.19 24.35 12.98 Favored 'General case' 0 C--O 1.249 1.043 0 O-C-N 121.813 -0.555 . . . . 0.0 111.931 174.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 2.5 ttmt 53.4 60.56 3.64 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.257 -0.902 . . . . 0.0 110.838 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.683 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 10.5 mmmt -128.73 105.58 8.36 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.624 1.202 . . . . 0.0 112.777 -173.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 128.94 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.938 1.351 . . . . 0.0 111.772 -175.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.1 pt -116.26 -29.6 2.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.441 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.061 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -156.59 127.99 7.06 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 121.42 -0.8 . . . . 0.0 110.516 -173.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -169.18 151.4 4.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.736 1.731 . . . . 0.0 113.282 -176.652 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 3.4 m-85 -121.61 110.57 16.16 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.451 172.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -135.52 108.75 7.76 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.371 -0.831 . . . . 0.0 111.185 -173.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.77 149.55 0.06 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.022 0.915 . . . . 0.0 110.695 -174.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.24 34.76 0.86 Allowed 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.699 173.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -113.09 -9.44 13.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 169.97 116.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.96 -174.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.499 HG21 ' CD2' ' A' ' 47' ' ' PHE . 77.8 p -116.99 172.6 7.15 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.879 0.847 . . . . 0.0 111.211 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.522 ' C ' ' HD1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -122.16 99.52 6.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.649 0.738 . . . . 0.0 110.946 -173.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -159.58 44.93 0.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.782 0.801 . . . . 0.0 111.046 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.53 24.07 2.4 Favored 'General case' 0 C--O 1.253 1.286 0 O-C-N 121.886 -0.509 . . . . 0.0 112.324 -172.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -165.28 132.1 2.87 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 120.916 -1.115 . . . . 0.0 111.221 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -33.11 74.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 70' ' ' ILE . 38.3 m -56.37 -13.93 2.57 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.96 -169.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 70' ' ' ILE . 27.1 m-85 -148.95 84.42 1.46 Allowed 'General case' 0 C--O 1.253 1.254 0 O-C-N 121.202 -0.936 . . . . 0.0 110.592 172.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.49 154.6 29.03 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 120.774 -1.204 . . . . 0.0 112.231 -172.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.061 ' CD1' ' HB1' ' A' ' 45' ' ' ALA . 7.7 mp -93.23 177.65 5.98 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.831 0.824 . . . . 0.0 111.174 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 2.8 m-85 -138.91 174.59 10.36 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.986 0.898 . . . . 0.0 110.975 172.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -64.12 -39.03 93.17 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.419 -0.8 . . . . 0.0 110.983 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -89.3 19.56 4.31 Favored 'General case' 0 C--O 1.252 1.227 0 O-C-N 121.967 -0.458 . . . . 0.0 111.969 -175.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' HA3' HG21 ' A' ' 21' ' ' ILE . . . 77.49 18.44 77.77 Favored Glycine 0 C--O 1.251 1.167 0 O-C-N 120.859 -1.15 . . . . 0.0 112.66 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' LEU . 1.2 m -88.61 161.98 16.61 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.017 -1.284 . . . . 0.0 111.11 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.815 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.3 tt -127.23 148.72 50.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.826 . . . . 0.0 111.093 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.659 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -134.0 136.21 43.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.594 0.712 . . . . 0.0 110.908 -176.636 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 59' ' ' THR . 1.3 mt -126.97 117.64 48.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.522 0.677 . . . . 0.0 110.456 -173.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.5 mtpm? -86.97 132.32 33.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.505 1.145 . . . . 0.0 113.465 -172.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 55.24 92.81 0.03 OUTLIER 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.374 171.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.837 ' HB2' ' HB3' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -141.89 124.96 16.26 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 124.526 2.108 . . . . 0.0 115.751 -173.172 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.621 ' O ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -112.68 -162.09 0.78 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 120.303 -1.498 . . . . 0.0 111.197 172.288 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.438 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.8 m -46.17 -28.93 1.37 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.228 1.013 . . . . 0.0 112.798 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.58 -39.56 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.377 -176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.837 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 20.0 m-20 -80.13 -11.25 59.77 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.885 -0.509 . . . . 0.0 112.298 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -84.58 111.83 19.88 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.77 -1.206 . . . . 0.0 110.946 -172.293 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -138.37 165.51 26.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.668 1.223 . . . . 0.0 111.761 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.716 HG12 ' OD1' ' A' ' 99' ' ' ASP . 6.9 mt -86.81 139.98 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.696 175.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.585 ' CA ' HG23 ' A' ' 38' ' ' THR . 20.4 m-85 -134.82 162.49 32.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.976 0.894 . . . . 0.0 111.01 -172.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -152.95 130.68 11.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.889 0.852 . . . . 0.0 110.818 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.939 HG22 HD11 ' A' ' 85' ' ' ILE . 10.4 p -100.69 121.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.648 1.213 . . . . 0.0 110.971 -173.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 p -119.86 114.44 22.1 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.177 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.96 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -125.33 117.97 51.26 Favored 'Isoleucine or valine' 0 C--O 1.252 1.199 0 O-C-N 121.932 -0.48 . . . . 0.0 109.847 -172.449 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.416 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -112.59 170.63 8.05 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 120.638 -1.289 . . . . 0.0 111.953 -167.399 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 4.7 p30 -84.83 -170.5 3.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.88 0.848 . . . . 0.0 110.934 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -26.16 62.52 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 121.771 -0.581 . . . . 0.0 112.319 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.98 2.53 55.03 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.963 -1.086 . . . . 0.0 112.895 -172.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.69 17.64 79.7 Favored Glycine 0 C--O 1.248 1.026 0 O-C-N 120.623 -1.298 . . . . 0.0 112.979 -174.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.3 mmtt -90.5 121.98 32.93 Favored 'General case' 0 C--O 1.245 0.867 0 O-C-N 121.082 -1.246 . . . . 0.0 111.353 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.41 ' CA ' ' HD2' ' A' ' 86' ' ' TYR . 6.2 p-10 -62.25 98.9 0.12 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.241 1.019 . . . . 0.0 110.831 173.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 91' ' ' LYS . 3.0 m -92.94 -17.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.865 0.84 . . . . 0.0 112.627 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -161.67 144.73 12.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.89 1.329 . . . . 0.0 110.98 173.389 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -138.21 160.16 40.17 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.57 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HD2' ' CG ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -171.03 139.62 1.42 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.905 0.86 . . . . 0.0 110.988 176.512 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -93.6 155.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.404 1.097 . . . . 0.0 111.193 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.921 ' HE1' HG12 ' A' ' 83' ' ' VAL . 28.0 m-85 -143.68 171.6 13.96 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.003 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.716 ' OD1' HG12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -163.82 102.84 0.9 Allowed 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.957 -1.089 . . . . 0.0 111.273 -172.795 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.901 HD22 HG21 ' A' ' 9' ' ' THR . 0.1 OUTLIER -72.36 128.83 36.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.269 1.033 . . . . 0.0 110.835 173.644 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -125.73 171.38 10.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.88 1.324 . . . . 0.0 111.298 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.799 HG21 ' CD1' ' A' ' 13' ' ' LEU . 4.5 mm -127.96 147.61 32.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.06 171.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.319 -0.752 0 CA-C-O 122.683 1.23 . . . . 0.0 112.075 -171.667 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.2 m120 . . . . . 0 CA--C 1.511 -0.524 0 CA-C-O 122.151 0.977 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.72 173.73 7.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.688 1.232 . . . . 0.0 111.171 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.698 HD12 ' CE2' ' A' ' 98' ' ' PHE . 8.0 mt -115.83 99.28 7.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.03 -173.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -54.92 99.9 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.937 0.875 . . . . 0.0 111.073 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.17 160.55 14.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.693 0.759 . . . . 0.0 110.826 -174.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -145.73 154.92 42.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.928 0.87 . . . . 0.0 111.454 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.4 -174.66 30.48 Favored Glycine 0 C--O 1.239 0.464 0 CA-C-O 122.493 1.052 . . . . 0.0 111.5 173.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.32 155.78 39.71 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.812 -0.817 . . . . 0.0 110.09 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.852 HD22 HG21 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -87.67 149.34 24.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 124.801 2.239 . . . . 0.0 113.61 -171.774 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.5 42.17 Favored Glycine 0 N--CA 1.464 0.528 0 CA-C-N 113.06 -1.882 . . . . 0.0 108.791 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -162.89 147.34 11.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 125.231 2.443 . . . . 0.0 116.999 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -80.1 144.15 33.35 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.585 -173.638 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.45 HD12 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -159.36 148.18 7.17 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 CA-C-O 121.357 0.599 . . . . 0.0 110.684 173.318 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.48 161.71 13.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.908 1.337 . . . . 0.0 112.2 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.085 HD13 HD23 ' A' ' 68' ' ' LEU . 1.4 mp -104.84 104.39 14.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 123.3 1.524 . . . . 0.0 109.652 172.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.89 109.08 20.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.846 1.308 . . . . 0.0 111.636 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.915 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -70.08 165.56 41.94 Favored Pre-proline 0 C--O 1.24 0.561 0 CA-C-O 122.138 0.97 . . . . 0.0 111.605 177.19 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.915 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 22.6 Cg_exo -44.79 -174.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.343 1 C-N-CA 127.375 5.384 . . . . 0.0 116.072 174.442 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -87.25 29.59 0.84 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.324 -1.307 . . . . 0.0 112.702 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -84.08 140.95 31.48 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 121.601 -0.687 . . . . 0.0 109.964 171.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -129.94 108.32 10.03 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.118 -0.989 . . . . 0.0 112.117 -172.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.791 ' HE1' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -76.12 170.17 16.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.568 0.699 . . . . 0.0 110.705 172.813 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -156.49 -111.51 0.03 OUTLIER 'General case' 0 C--O 1.246 0.897 0 O-C-N 121.61 -0.681 . . . . 0.0 110.933 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -84.07 -51.87 6.75 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.466 -0.771 . . . . 0.0 112.521 -172.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 88' ' ' THR . 4.8 m-20 -68.64 -18.18 64.25 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 121.176 -0.953 . . . . 0.0 113.411 -172.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -87.98 128.64 40.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.384 -0.822 . . . . 0.0 110.881 -176.485 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -31.75 3.27 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -101.82 138.56 38.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.656 1.217 . . . . 0.0 110.848 -172.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.905 HG23 ' CG2' ' A' ' 85' ' ' ILE . 3.3 mt -143.66 147.69 19.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.034 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.502 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -155.88 140.63 17.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 123.545 1.64 . . . . 0.0 112.737 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.958 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 m95 -138.79 126.16 21.68 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.36 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -121.48 168.51 11.63 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.566 0.698 . . . . 0.0 110.707 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -95.4 84.21 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.727 HG23 ' C ' ' A' ' 81' ' ' TYR . 42.0 p -33.51 -45.59 0.17 Allowed 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -170.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -55.92 -59.32 5.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.671 0.748 . . . . 0.0 111.201 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.62 4.42 51.95 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.85 57.91 6.02 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.254 -173.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -119.6 99.75 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 123.011 1.386 . . . . 0.0 112.471 -172.654 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -43.31 127.79 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.7 1.238 . . . . 0.0 112.013 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.745 HD12 ' CD2' ' A' ' 60' ' ' TYR . 32.8 pt -127.64 -32.07 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.077 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.885 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -157.52 135.14 10.59 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 121.116 -0.99 . . . . 0.0 110.477 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.33 146.64 3.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 123.84 1.781 . . . . 0.0 113.444 -178.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.61 120.14 38.42 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.333 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -142.21 84.72 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.406 -0.809 . . . . 0.0 110.999 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.58 150.67 0.09 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.228 1.013 . . . . 0.0 110.199 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.04 37.95 0.79 Allowed 'General case' 0 C--O 1.251 1.159 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.448 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -118.78 -5.03 10.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 178.6 121.25 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.004 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.07 152.81 43.84 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.667 0.746 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' HE1' ' O ' ' A' ' 44' ' ' ILE . 45.6 t80 -105.09 106.62 17.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.072 0.939 . . . . 0.0 111.356 -175.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -164.19 61.04 0.15 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.041 0.924 . . . . 0.0 110.797 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -32.32 73.68 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.8 -172.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.723 ' CG ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -153.64 162.62 41.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.083 0.944 . . . . 0.0 111.362 176.258 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.8 -3.4 38.13 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.515 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.732 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.4 t -57.94 -21.98 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.119 -0.988 . . . . 0.0 110.593 173.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.874 ' HE2' ' HE2' ' A' ' 81' ' ' TYR . 69.0 m-85 -150.45 83.83 1.36 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 121.561 -0.712 . . . . 0.0 111.039 171.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -104.54 144.46 31.66 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.309 -0.869 . . . . 0.0 111.157 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.708 HD12 ' H ' ' A' ' 63' ' ' PHE . 2.9 tp -100.27 144.07 29.72 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 123.077 0.551 . . . . 0.0 110.805 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.708 ' H ' HD12 ' A' ' 62' ' ' LEU . 2.8 m-30 -115.48 168.59 9.86 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.254 -0.903 . . . . 0.0 111.283 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.82 -34.38 78.23 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.773 0.797 . . . . 0.0 111.171 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -88.14 20.88 2.98 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 121.843 -0.535 . . . . 0.0 112.145 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.95 16.13 78.34 Favored Glycine 0 C--O 1.253 1.331 0 O-C-N 120.968 -1.083 . . . . 0.0 112.539 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.36 153.19 20.62 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 120.757 -1.437 . . . . 0.0 111.005 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -132.25 111.42 11.38 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.559 -0.713 . . . . 0.0 111.301 178.082 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -93.26 136.45 33.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.623 1.201 . . . . 0.0 110.877 -174.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.898 HD11 HD11 ' A' ' 19' ' ' LEU . 5.3 mt -120.02 113.76 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.71 0.767 . . . . 0.0 109.686 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.4 OUTLIER -86.52 119.45 26.79 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -169.106 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.525 ' O ' HD23 ' A' ' 73' ' ' LEU . 34.2 t60 49.97 86.79 0.03 OUTLIER 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.382 1.073 . . . . 0.0 112.863 170.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.939 ' HB2' ' HB2' ' A' ' 77' ' ' ASP . 35.5 mt -157.78 167.47 29.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 125.339 2.495 . . . . 0.0 113.8 177.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.615 ' CB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -114.12 -134.86 0.35 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.271 1.828 . . . . 0.0 113.772 -169.79 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.0 m -61.27 -25.27 66.98 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.805 1.288 . . . . 0.0 110.64 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -69.12 -31.58 70.37 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 122.82 1.295 . . . . 0.0 110.77 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.939 ' HB2' ' HB2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -69.36 -23.47 63.76 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.921 173.075 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.809 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 3.3 tt0 -82.65 89.48 6.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.412 1.101 . . . . 0.0 110.96 -175.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.65 173.32 8.17 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 122.33 1.062 . . . . 0.0 110.887 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.676 HG23 ' OD2' ' A' ' 99' ' ' ASP . 1.2 mp -97.55 133.28 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.884 0.85 . . . . 0.0 110.368 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.874 ' HE2' ' HE2' ' A' ' 60' ' ' TYR . 32.2 m-85 -127.67 165.95 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.682 1.23 . . . . 0.0 111.968 -171.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 10.3 ttmt -148.69 135.12 19.52 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.542 172.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.94 HG22 HD11 ' A' ' 85' ' ' ILE . 3.6 p -109.75 110.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.969 1.366 . . . . 0.0 110.838 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -116.28 123.06 46.75 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.216 179.455 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.94 HD11 HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -140.26 118.23 10.35 Favored 'Isoleucine or valine' 0 C--O 1.256 1.404 0 O-C-N 121.8 -0.562 . . . . 0.0 110.179 -172.061 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.558 ' HD1' ' C ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -126.24 166.32 17.32 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 120.284 -1.51 . . . . 0.0 110.521 -167.79 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -81.14 -171.38 3.21 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 -174.806 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 29' ' ' ASP . 6.5 p -54.66 -40.6 69.22 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 121.452 -0.78 . . . . 0.0 111.687 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -91.43 29.06 1.54 Allowed 'General case' 0 C--O 1.248 1.022 0 O-C-N 121.546 -0.721 . . . . 0.0 112.274 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.72 23.01 62.61 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 121.139 -0.976 . . . . 0.0 111.972 173.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -90.63 103.68 16.35 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.367 -1.078 . . . . 0.0 111.514 -177.613 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.25 99.8 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.005 0.907 . . . . 0.0 110.99 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 91' ' ' LYS . 35.4 m -86.5 -28.76 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.608 1.194 . . . . 0.0 111.851 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.74 HD21 HD11 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -155.79 142.99 19.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.849 1.309 . . . . 0.0 111.636 175.482 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -146.32 134.26 21.37 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.833 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.699 ' CD ' ' HG2' ' A' ' 22' ' ' PRO . 21.6 mttt -148.76 165.78 30.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.499 0.666 . . . . 0.0 110.721 -174.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -120.79 157.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -173.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.698 ' CE2' HD12 ' A' ' 7' ' ' LEU . 7.5 m-85 -146.07 167.53 23.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.848 0.833 . . . . 0.0 111.397 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.676 ' OD2' HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -159.33 95.76 1.26 Allowed 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.349 0.595 . . . . 0.0 111.024 175.842 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -67.22 151.06 48.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.92 0.867 . . . . 0.0 111.465 176.852 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.809 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 74.8 mttt -145.6 167.93 21.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.679 1.228 . . . . 0.0 111.94 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.852 HG21 HD22 ' A' ' 13' ' ' LEU . 8.7 mm -123.79 138.28 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 122.564 1.173 . . . . 0.0 109.508 171.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 122.81 1.291 . . . . 0.0 112.384 -171.71 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.837 0.827 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.28 173.28 12.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.886 1.327 . . . . 0.0 111.632 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.002 HD12 ' CE2' ' A' ' 98' ' ' PHE . 28.2 mt -120.11 118.13 29.76 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 122.292 1.044 . . . . 0.0 110.873 -177.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.11 92.46 0.18 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.877 0.846 . . . . 0.0 110.903 173.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.523 ' HB ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -111.8 128.87 56.24 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 121.265 0.555 . . . . 0.0 110.36 -174.857 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CZ2' ' HD2' ' A' ' 101' ' ' LYS . 85.8 m95 -129.93 164.64 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.442 1.115 . . . . 0.0 112.549 -171.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.51 166.52 35.4 Favored Glycine 0 C--O 1.239 0.461 0 CA-C-O 122.189 0.883 . . . . 0.0 111.717 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.772 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -104.58 161.66 13.93 Favored 'General case' 0 C--O 1.253 1.264 0 O-C-N 121.722 -0.87 . . . . 0.0 110.48 172.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.77 ' CD1' HG21 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -74.31 126.34 30.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.935 1.35 . . . . 0.0 111.849 -172.81 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 36.34 28.89 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.772 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 39.6 tt0 -138.02 131.02 30.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 123.046 1.403 . . . . 0.0 112.584 -170.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -84.02 129.04 34.93 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.103 -173.699 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.528 ' CG2' HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -133.39 158.02 42.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.774 0.797 . . . . 0.0 110.736 -178.24 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.414 ' N ' HG13 ' A' ' 17' ' ' ILE . 80.4 m-20 -115.27 137.37 52.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.083 0.944 . . . . 0.0 112.085 -173.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.063 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 1.9 mm? -81.61 111.46 17.92 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.817 171.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -100.18 111.03 23.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.894 1.33 . . . . 0.0 112.367 -170.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.814 ' CD1' HG13 ' A' ' 85' ' ' ILE . 8.9 tt -70.21 155.57 93.23 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.403 171.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.807 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 28.6 Cg_exo -45.5 -177.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.437 1 C-N-CA 126.875 5.05 . . . . 0.0 115.643 176.39 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.2 p -88.94 30.66 0.91 Allowed 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.257 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -105.87 124.73 50.05 Favored 'General case' 0 C--O 1.247 0.956 0 O-C-N 121.617 -0.677 . . . . 0.0 109.946 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.25 148.19 44.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.603 1.192 . . . . 0.0 111.358 -171.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.629 ' HB3' HG21 ' A' ' 30' ' ' ILE . 5.2 ptm -84.4 171.76 12.34 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 122.017 0.913 . . . . 0.0 111.057 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.9 p -157.7 -118.05 0.02 OUTLIER 'General case' 0 C--O 1.251 1.173 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.182 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.54 -14.58 51.92 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.984 -1.073 . . . . 0.0 112.366 -173.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 88' ' ' THR . 54.5 m-20 -101.04 -24.6 14.28 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.763 -1.211 . . . . 0.0 113.256 -173.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.629 HG21 ' HB3' ' A' ' 26' ' ' MET . 1.3 mt -86.79 145.48 7.58 Favored 'Isoleucine or valine' 0 C--O 1.247 0.965 0 O-C-N 121.76 -0.587 . . . . 0.0 110.755 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.37 -38.68 1.18 Allowed 'General case' 0 C--O 1.258 1.504 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 85' ' ' ILE . 4.6 t70 -105.98 145.99 30.64 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 120.567 -1.333 . . . . 0.0 112.094 -171.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.964 ' HA ' HG23 ' A' ' 85' ' ' ILE . 17.2 mt -143.5 102.03 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.441 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 8.3 mmmt -114.32 149.29 36.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.233 1.492 . . . . 0.0 112.229 -173.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 1.063 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 37.6 m95 -141.72 129.91 22.19 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.288 172.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.82 168.56 11.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.807 0.813 . . . . 0.0 111.656 -173.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -97.08 108.49 21.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.395 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 1.086 ' CG2' HG22 ' A' ' 80' ' ' ILE . 5.0 p -46.9 -49.96 19.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.802 0.81 . . . . 0.0 112.186 -171.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 t -52.58 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.827 . . . . 0.0 111.59 -173.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.92 3.36 14.75 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 41' ' ' LYS . 4.4 mtpt 56.32 67.13 1.04 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.012 1.387 . . . . 0.0 110.24 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.65 104.55 6.41 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.615 -1.175 . . . . 0.0 113.486 -172.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -41.11 150.53 0.08 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.174 0.988 . . . . 0.0 112.295 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 60' ' ' TYR . 4.8 pt -147.88 -48.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.886 0.851 . . . . 0.0 111.036 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.854 ' HB1' ' HG ' ' A' ' 62' ' ' LEU . . . -129.55 125.19 35.69 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -154.72 142.77 20.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.74 1.733 . . . . 0.0 113.158 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' HD1' HD12 ' A' ' 62' ' ' LEU . 2.0 m-85 -125.89 123.5 38.77 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.396 172.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.77 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -141.77 116.29 9.62 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 121.318 -0.864 . . . . 0.0 111.527 -173.076 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.26 159.87 0.18 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.901 . . . . 0.0 109.58 -176.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.547 ' C ' ' HG2' ' A' ' 51' ' ' LYS . 8.6 pt-20 -71.53 7.57 1.38 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.789 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 1.4 mmtp -159.99 122.1 3.31 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.279 1.032 . . . . 0.0 109.684 168.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.789 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER 143.66 76.27 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.963 1.305 . . . . 0.0 109.772 -169.609 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -103.77 139.15 39.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.839 1.304 . . . . 0.0 113.174 -171.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -128.82 85.67 2.35 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.909 171.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 15.73 0.47 Allowed 'General case' 0 C--O 1.261 1.703 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -170.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.2 72.48 7.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 120.535 1.516 . . . . 0.0 111.291 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.676 ' CG ' HG22 ' A' ' 59' ' ' THR . 0.6 OUTLIER 179.68 108.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.719 -0.613 . . . . 0.0 110.892 -174.41 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.14 0.972 . . . . 0.0 112.096 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.73 HG23 ' HD1' ' A' ' 60' ' ' TYR . 14.6 t -60.51 -15.25 25.34 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.626 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.872 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 68.2 m-85 -150.57 90.86 1.68 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.225 -0.922 . . . . 0.0 111.221 171.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -101.1 161.18 13.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.665 1.221 . . . . 0.0 111.629 -174.708 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.854 ' HG ' ' HB1' ' A' ' 45' ' ' ALA . 12.3 mt -107.57 151.68 25.28 Favored 'General case' 0 C--O 1.252 1.209 0 C-N-CA 123.779 0.832 . . . . 0.0 110.6 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.757 ' CD2' HG22 ' A' ' 67' ' ' THR . 22.6 m-30 -130.84 170.81 13.91 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.914 -1.116 . . . . 0.0 111.451 174.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -54.52 24.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.034 0.921 . . . . 0.0 111.18 -175.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -53.27 -21.57 5.67 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.928 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.19 24.76 10.04 Favored Glycine 0 C--O 1.245 0.806 0 O-C-N 121.099 -1.0 . . . . 0.0 111.851 -173.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.757 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.3 148.52 22.82 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.39 -1.064 . . . . 0.0 110.956 173.488 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.97 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 6.7 tp -105.84 154.86 19.94 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.301 0.572 . . . . 0.0 110.609 173.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -133.85 124.51 26.62 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.522 -0.736 . . . . 0.0 110.968 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.649 HD11 HD23 ' A' ' 19' ' ' LEU . 4.4 mt -117.97 110.56 31.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.154 0.978 . . . . 0.0 110.483 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.9 tttm -81.04 141.18 34.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 123.058 1.408 . . . . 0.0 113.426 -172.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 49.57 79.17 0.08 Allowed 'General case' 0 C--O 1.25 1.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.444 172.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -122.2 119.07 30.17 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.098 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -107.21 -162.79 0.86 Allowed 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.882 1.273 . . . . 0.0 110.518 169.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.458 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.6 m -49.76 -27.21 4.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.204 1.002 . . . . 0.0 112.477 176.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -38.38 49.97 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.389 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.847 ' HB3' HD12 ' A' ' 73' ' ' LEU . 1.5 m-20 -77.61 -12.47 59.97 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.378 -0.826 . . . . 0.0 112.01 174.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.475 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -74.52 102.97 4.68 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.772 -1.205 . . . . 0.0 110.91 -176.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.2 176.06 8.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.335 1.064 . . . . 0.0 111.098 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.086 HG22 ' CG2' ' A' ' 38' ' ' THR . 31.9 mt -101.26 142.59 15.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.54 0.686 . . . . 0.0 110.137 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.95 ' HE2' ' HB2' ' A' ' 100' ' ' LEU . 33.5 m-85 -137.26 170.96 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.954 0.883 . . . . 0.0 111.426 -171.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.814 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 24.7 ttpt -156.37 155.36 32.05 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 173.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.09 HG12 ' HE1' ' A' ' 98' ' ' PHE . 12.0 p -129.31 128.85 66.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.587 1.184 . . . . 0.0 111.227 -174.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.587 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 35.0 p -133.56 103.66 6.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.899 0.857 . . . . 0.0 110.296 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.964 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -112.69 113.97 45.66 Favored 'Isoleucine or valine' 0 C--O 1.25 1.129 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.207 -172.521 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.784 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -109.62 167.48 10.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.103 1.43 . . . . 0.0 112.505 -169.325 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.618 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 14.9 p-10 -86.02 -165.23 1.19 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.463 1.125 . . . . 0.0 110.933 177.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 29' ' ' ASP . 60.0 p -62.59 -33.11 74.32 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.502 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -90.83 23.01 3.3 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 121.474 -0.766 . . . . 0.0 112.22 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.65 54.24 Favored Glycine 0 C--O 1.249 1.065 0 O-C-N 121.056 -1.027 . . . . 0.0 111.76 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.618 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 3.4 mtpp -86.06 113.59 22.25 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.161 -1.199 . . . . 0.0 110.987 -177.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.784 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 22.9 p-10 -61.1 91.62 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.712 1.244 . . . . 0.0 110.771 175.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 30' ' ' ILE . 17.3 m -69.6 -33.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 122.849 1.309 . . . . 0.0 110.835 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.418 HD21 ' HG2' ' A' ' 22' ' ' PRO . 12.3 tp -149.44 145.6 27.01 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 123.13 1.443 . . . . 0.0 111.446 173.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -138.01 155.73 48.54 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.542 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.814 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 tptt -167.47 154.27 8.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.414 1.102 . . . . 0.0 111.391 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 5' ' ' ASN . 1.5 mt -112.91 141.3 28.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.803 -174.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 1.09 ' HE1' HG12 ' A' ' 83' ' ' VAL . 11.2 m-85 -128.66 163.02 25.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.025 0.917 . . . . 0.0 111.414 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.14 108.02 3.36 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.741 0.781 . . . . 0.0 110.88 173.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.95 ' HB2' ' HE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -72.53 149.09 44.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.871 0.843 . . . . 0.0 110.857 178.602 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HD2' ' CZ2' ' A' ' 10' ' ' TRP . 2.5 mttp -139.85 163.54 32.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.762 1.268 . . . . 0.0 112.053 -173.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.77 HG21 ' CD1' ' A' ' 13' ' ' LEU . 27.6 mm -124.22 145.72 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.307 169.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.783 0 CA-C-O 122.203 1.002 . . . . 0.0 111.347 -171.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt . . . . . 0 C--O 1.239 0.536 0 CA-C-O 121.95 0.881 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -100.6 103.67 14.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.881 0.848 . . . . 0.0 110.99 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.79 178.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 123.043 1.401 . . . . 0.0 111.604 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -82.46 176.11 9.68 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 122.784 1.278 . . . . 0.0 111.239 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -133.66 42.81 2.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.844 1.307 . . . . 0.0 110.34 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.58 174.37 7.31 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 123.067 1.413 . . . . 0.0 112.164 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.906 HD12 ' CE2' ' A' ' 98' ' ' PHE . 13.2 mt -107.06 111.9 24.57 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.42 1.105 . . . . 0.0 110.983 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.78 91.61 0.01 OUTLIER 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.925 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.834 HG22 ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -99.01 137.36 37.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.769 0.795 . . . . 0.0 110.55 -173.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -127.64 161.77 28.08 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.063 0.935 . . . . 0.0 111.544 -172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.17 -159.57 9.48 Favored Glycine 0 C--O 1.239 0.441 0 CA-C-O 122.482 1.046 . . . . 0.0 111.548 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -157.58 150.66 23.37 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 121.844 -0.798 . . . . 0.0 110.316 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.957 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.4 mp -65.3 133.76 52.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.764 1.268 . . . . 0.0 111.158 -172.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.89 43.67 10.95 Favored Glycine 0 C--O 1.251 1.197 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.094 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.65 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -132.57 -179.18 5.3 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 123.437 1.589 . . . . 0.0 110.955 -173.402 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.851 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -136.54 128.64 29.64 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.335 1.064 . . . . 0.0 110.106 172.666 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 100' ' ' LEU . 7.7 tp -126.62 168.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.986 0.898 . . . . 0.0 112.105 -170.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.457 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -128.55 -177.69 4.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.159 1.457 . . . . 0.0 111.613 -175.823 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.83 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.9 OUTLIER -140.32 89.67 2.3 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.324 -176.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.91 105.77 17.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 110.454 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.026 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -98.75 -48.12 0.22 Allowed Pre-proline 0 C--O 1.245 0.858 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -171.521 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 1.026 ' HD3' HG23 ' A' ' 21' ' ' ILE . 86.2 Cg_exo -52.7 113.42 1.23 Allowed 'Trans proline' 0 N--CA 1.529 3.58 1 C-N-CA 126.123 4.549 . . . . 0.0 117.48 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -94.67 16.25 16.13 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.43 1.092 . . . . 0.0 110.945 170.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -167.08 178.29 5.78 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.032 0.92 . . . . 0.0 111.445 -168.175 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.47 76.69 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.797 1.284 . . . . 0.0 111.868 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.402 ' HG3' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -76.93 161.32 28.48 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.407 172.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 p -167.01 -50.69 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.856 1.312 . . . . 0.0 113.303 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -75.6 -27.27 58.45 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 114.836 -1.075 . . . . 0.0 113.205 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.9 7.55 9.32 Favored 'General case' 0 C--O 1.258 1.536 0 O-C-N 121.036 -1.04 . . . . 0.0 113.18 -171.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.628 HD13 ' N ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -88.67 158.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 120.613 -1.304 . . . . 0.0 111.336 -174.196 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.628 ' N ' HD13 ' A' ' 30' ' ' ILE . 15.5 t70 -133.26 -63.38 0.76 Allowed 'General case' 0 C--O 1.254 1.338 0 O-C-N 121.546 -0.721 . . . . 0.0 112.917 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.782 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -105.02 142.22 35.19 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.466 1.603 . . . . 0.0 113.279 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.9 ' HA ' HG23 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -126.2 124.54 66.03 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.273 172.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.748 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 26.4 tttp -130.58 147.11 52.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.195 1.474 . . . . 0.0 112.558 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.83 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 57.1 m95 -142.95 127.19 17.59 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.348 172.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.77 162.49 17.22 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-O 121.166 0.508 . . . . 0.0 110.811 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 2.6 ttmt -96.34 89.02 4.93 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.554 -0.716 . . . . 0.0 109.759 173.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 80' ' ' ILE . 44.1 p -49.77 -28.19 5.91 Favored 'General case' 0 C--O 1.251 1.168 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -169.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -55.83 -47.05 77.9 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.112 -0.992 . . . . 0.0 111.286 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -134.67 30.84 3.42 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.563 -0.711 . . . . 0.0 112.049 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 7.0 pttp 48.17 57.64 5.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.611 1.196 . . . . 0.0 110.481 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.73 108.39 14.36 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 122.633 1.206 . . . . 0.0 112.114 -172.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.07 130.4 6.03 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 122.102 0.953 . . . . 0.0 112.005 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.789 HD12 ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -120.93 -36.03 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.266 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.0 153.48 33.01 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.574 -0.704 . . . . 0.0 110.639 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.748 ' HG3' ' HG3' ' A' ' 34' ' ' LYS . 1.3 tt0 -164.33 158.61 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 123.872 1.796 . . . . 0.0 113.454 173.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HD2' HD13 ' A' ' 62' ' ' LEU . 3.0 m-85 -133.39 129.53 37.5 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.423 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.62 56.77 1.7 Allowed 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.429 -0.794 . . . . 0.0 110.91 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.03 173.7 0.29 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.082 1.42 . . . . 0.0 109.198 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.69 36.87 0.45 Allowed 'General case' 0 C--O 1.25 1.11 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -120.77 -8.53 9.44 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -177.92 85.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.149 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 t -126.71 149.79 49.39 Favored 'General case' 0 C--O 1.265 1.89 0 C-N-CA 123.455 0.702 . . . . 0.0 109.604 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.621 ' HE1' ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -152.4 156.83 40.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 124.546 2.117 . . . . 0.0 114.625 -171.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -161.22 100.6 1.22 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.326 173.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.07 -48.08 22.63 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.777 ' HB2' HG22 ' A' ' 59' ' ' THR . 7.7 mtpt -151.6 176.75 11.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.171 0.986 . . . . 0.0 110.782 -173.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -29.64 70.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.806 0.812 . . . . 0.0 112.193 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.777 HG22 ' HB2' ' A' ' 57' ' ' LYS . 9.0 t -50.79 -21.73 1.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.073 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.789 ' CE2' HD12 ' A' ' 44' ' ' ILE . 35.8 m-85 -147.98 99.31 3.06 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 111.41 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.836 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.1 mtmm -98.86 151.2 21.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.897 0.856 . . . . 0.0 111.734 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.593 HD21 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.51 120.31 38.34 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 123.783 0.833 . . . . 0.0 109.518 172.004 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 1.096 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 99.1 m-85 -105.49 179.15 4.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 123.385 1.564 . . . . 0.0 113.06 -171.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -72.84 -54.31 9.12 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.168 -175.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 22' ' ' PRO . 24.6 p30 -61.99 -9.01 6.04 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.584 -0.698 . . . . 0.0 111.22 173.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.55 8.69 54.36 Favored Glycine 0 C--O 1.25 1.15 0 O-C-N 120.924 -1.11 . . . . 0.0 112.653 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.555 ' O ' ' HD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.05 153.82 34.03 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 119.326 1.563 . . . . 0.0 110.719 177.408 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 61' ' ' LYS . 9.1 tp -114.57 118.49 33.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.264 1.031 . . . . 0.0 111.232 174.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 1.096 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -90.08 162.93 15.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.969 0.89 . . . . 0.0 111.134 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 59' ' ' THR . 2.4 mt -149.3 123.72 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.248 0.998 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.742 173.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 149.63 21.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.57 -0.706 . . . . 0.0 111.389 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.793 ' C ' HD22 ' A' ' 73' ' ' LEU . 22.2 t60 61.79 110.57 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.425 1.583 . . . . 0.0 110.989 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.066 HD12 HD21 ' A' ' 100' ' ' LEU . 3.0 mm? -135.48 70.16 1.43 Allowed 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -170.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.471 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.6 -171.03 2.38 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.876 0.846 . . . . 0.0 110.454 171.101 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 m -52.76 -28.28 21.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.411 1.101 . . . . 0.0 112.28 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -42.33 47.71 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.219 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.0 10.4 14.27 Favored 'General case' 0 C--O 1.254 1.308 0 O-C-N 121.619 -0.675 . . . . 0.0 112.094 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.7 116.57 28.91 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.794 -1.191 . . . . 0.0 111.072 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -143.04 -172.13 3.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.285 1.04 . . . . 0.0 111.529 -173.555 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.512 HG22 ' OG1' ' A' ' 38' ' ' THR . 1.9 mp -110.51 143.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.606 1.193 . . . . 0.0 110.115 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.692 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -138.29 167.82 21.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.776 0.798 . . . . 0.0 110.724 -171.027 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.818 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 37.6 tttt -157.45 151.59 24.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.63 0.729 . . . . 0.0 110.605 173.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.051 HG12 ' CE1' ' A' ' 98' ' ' PHE . 11.4 p -124.69 129.35 73.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 122.482 1.134 . . . . 0.0 111.108 -178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.71 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 58.7 p -127.62 106.35 9.1 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.931 173.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.9 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.99 106.64 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 122.207 1.003 . . . . 0.0 110.03 -171.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.71 ' HE1' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -98.8 158.57 15.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.468 1.127 . . . . 0.0 112.62 -167.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.881 ' HB3' HG11 ' A' ' 93' ' ' VAL . 38.6 p-10 -87.97 -164.8 1.16 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 122.144 0.973 . . . . 0.0 110.895 174.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.5 p -73.93 -32.61 63.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.878 0.847 . . . . 0.0 111.056 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.09 -11.46 39.97 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.666 -0.646 . . . . 0.0 112.036 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.54 14.77 79.46 Favored Glycine 0 C--O 1.25 1.147 0 O-C-N 120.794 -1.191 . . . . 0.0 112.354 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -84.8 155.58 21.74 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.893 -1.357 . . . . 0.0 111.487 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -83.89 76.22 10.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.84 0.828 . . . . 0.0 110.345 172.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.881 HG11 ' HB3' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -60.08 -19.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.886 0.851 . . . . 0.0 112.373 -173.123 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 21' ' ' ILE . 9.1 tp -163.73 141.28 7.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.636 1.208 . . . . 0.0 110.72 172.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.82 145.55 31.68 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.515 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.818 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -161.81 155.93 22.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.183 0.992 . . . . 0.0 111.264 -174.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.3 mt -119.35 136.34 56.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.177 0.989 . . . . 0.0 110.717 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 1.051 ' CE1' HG12 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -126.59 167.05 16.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.835 0.826 . . . . 0.0 111.308 -173.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.39 103.1 1.77 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.049 0.928 . . . . 0.0 110.832 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.066 HD21 HD12 ' A' ' 73' ' ' LEU . 15.9 tp -73.51 135.78 44.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.183 0.992 . . . . 0.0 111.219 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -126.43 169.04 13.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.13 0.967 . . . . 0.0 111.434 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.957 HG21 ' CD1' ' A' ' 13' ' ' LEU . 6.4 mm -122.83 143.84 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.174 0.988 . . . . 0.0 110.142 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.853 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -118.44 169.34 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.571 1.177 . . . . 0.0 111.872 -171.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.853 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -142.77 79.52 1.66 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 123.629 1.68 . . . . 0.0 110.58 -173.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.269 2.102 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 mttp . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.926 0.87 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -86.16 135.12 33.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.92 0.867 . . . . 0.0 111.053 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.15 108.19 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.967 0.889 . . . . 0.0 111.013 174.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.0 p -99.06 173.49 6.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.253 1.025 . . . . 0.0 111.041 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.96 46.75 1.85 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.427 1.108 . . . . 0.0 110.835 177.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.5 169.59 11.72 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.029 0.918 . . . . 0.0 111.365 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.903 HD23 ' CD2' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -115.44 108.77 16.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.332 1.063 . . . . 0.0 110.714 -177.148 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 101.51 4.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.031 0.92 . . . . 0.0 110.953 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.824 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -105.51 125.7 51.29 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.944 -175.599 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -122.37 147.74 45.92 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.348 -0.845 . . . . 0.0 111.753 -172.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.7 170.2 36.57 Favored Glycine 0 C--O 1.239 0.466 0 O-C-N 121.202 -0.936 . . . . 0.0 111.941 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.66 156.02 17.91 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 121.679 -0.895 . . . . 0.0 110.087 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.98 163.31 28.06 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.06 1.41 . . . . 0.0 110.31 -171.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 37.31 28.77 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.115 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 6.6 tt0 -124.14 -174.39 2.99 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 124.208 1.956 . . . . 0.0 112.601 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' H ' ' HG2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -146.18 118.23 8.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.111 170.321 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.573 HG21 HD21 ' A' ' 100' ' ' LEU . 7.3 tp -123.48 165.65 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.781 1.277 . . . . 0.0 112.718 -169.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -122.05 124.37 43.79 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 122.174 0.988 . . . . 0.0 111.714 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.094 HD11 ' CD2' ' A' ' 81' ' ' TYR . 2.9 mt -80.31 102.58 9.62 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.678 0.751 . . . . 0.0 110.339 171.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.39 -155.58 0.39 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.646 0.736 . . . . 0.0 110.969 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.074 HD12 ' HD2' ' A' ' 22' ' ' PRO . 7.0 tp -165.57 154.63 10.81 Favored Pre-proline 0 C--O 1.245 0.83 0 CA-C-O 121.411 0.624 . . . . 0.0 110.954 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 1.074 ' HD2' HD12 ' A' ' 21' ' ' ILE . 8.4 Cg_endo -45.82 179.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.487 1 C-N-CA 127.002 5.135 . . . . 0.0 114.417 173.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 p -88.57 30.85 0.87 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.431 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.38 150.88 22.15 Favored 'General case' 0 C--O 1.246 0.906 0 O-C-N 121.572 -0.705 . . . . 0.0 110.455 172.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -147.96 146.85 29.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.123 0.963 . . . . 0.0 111.342 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.9 ptm -53.12 161.01 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.946 0.879 . . . . 0.0 110.938 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -169.96 -92.48 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.398 1.094 . . . . 0.0 111.157 -173.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -76.36 0.08 Allowed 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.912 -172.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.606 ' O ' HG23 ' A' ' 88' ' ' THR . 67.4 m-20 -138.0 21.89 2.83 Favored 'General case' 0 C--O 1.253 1.272 0 O-C-N 121.053 -1.029 . . . . 0.0 112.764 -172.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -69.28 127.53 31.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 121.052 -1.03 . . . . 0.0 110.459 173.32 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.685 ' CG ' HG22 ' A' ' 88' ' ' THR . 0.1 OUTLIER -134.03 -28.22 1.37 Allowed 'General case' 0 C--O 1.26 1.643 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.45 149.43 32.6 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.549 -1.344 . . . . 0.0 112.002 -171.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.047 HG23 HG23 ' A' ' 85' ' ' ILE . 1.4 mt -133.2 156.97 42.59 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 172.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -150.49 136.01 18.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 123.274 1.512 . . . . 0.0 111.96 173.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.772 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.8 m95 -134.74 130.7 36.62 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.657 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 173.7 11.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.824 0.821 . . . . 0.0 111.105 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -90.76 106.81 18.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 1.133 HG21 HG22 ' A' ' 80' ' ' ILE . 2.2 p -39.04 -53.98 1.74 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -169.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -69.44 -52.22 28.82 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.521 -0.737 . . . . 0.0 112.86 -171.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.791 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 1.3 t0 -99.63 15.8 25.52 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 121.234 -0.916 . . . . 0.0 113.378 -171.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.791 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 8.2 pttt 49.57 58.52 5.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 123.073 1.416 . . . . 0.0 110.196 173.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.67 89.33 3.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.963 1.363 . . . . 0.0 111.86 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -50.02 113.45 0.86 Allowed 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.942 0.877 . . . . 0.0 110.957 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -118.49 -9.39 11.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.867 175.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.928 ' HB1' HD23 ' A' ' 62' ' ' LEU . . . -157.14 131.78 8.68 Favored 'General case' 0 C--O 1.254 1.292 0 O-C-N 120.847 -1.158 . . . . 0.0 110.472 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -159.86 146.45 16.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 123.324 1.535 . . . . 0.0 112.962 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.668 ' CE1' HG22 ' A' ' 53' ' ' THR . 1.6 m-85 -122.09 140.57 52.36 Favored 'General case' 0 C--O 1.244 0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.59 172.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -161.92 113.63 1.7 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.454 -0.778 . . . . 0.0 111.248 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm 66.8 154.44 0.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.738 1.256 . . . . 0.0 110.452 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.54 33.4 0.7 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.073 174.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -7.31 15.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 175.13 160.47 0.22 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.29 -178.343 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.668 HG22 ' CE1' ' A' ' 47' ' ' PHE . 60.9 p -127.56 154.63 44.95 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.721 0.772 . . . . 0.0 111.144 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -112.48 104.72 12.84 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.788 0.804 . . . . 0.0 111.28 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.63 118.16 2.45 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.939 0.876 . . . . 0.0 111.008 174.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -69.45 -53.38 19.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.923 0.868 . . . . 0.0 110.785 177.305 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.614 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -148.65 169.63 19.94 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.446 0.641 . . . . 0.0 110.643 -175.13 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.05 -18.59 63.3 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.503 -0.748 . . . . 0.0 112.679 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.727 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.3 t -51.71 -23.86 5.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.846 0.831 . . . . 0.0 110.766 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.536 ' CD1' HG12 ' A' ' 70' ' ' ILE . 31.2 m-85 -148.41 83.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.707 0.765 . . . . 0.0 110.812 172.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.603 ' HE2' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -113.86 152.1 31.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.283 1.516 . . . . 0.0 112.028 -172.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.928 HD23 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -98.9 150.42 21.93 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.812 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.603 ' HE1' ' HE2' ' A' ' 61' ' ' LYS . 17.7 m-30 -120.08 158.15 27.46 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 110.5 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -26.59 68.31 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 121.824 -0.547 . . . . 0.0 111.518 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -93.6 25.82 3.33 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.26 -0.9 . . . . 0.0 111.951 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.79 4.2 65.75 Favored Glycine 0 C--O 1.254 1.37 0 O-C-N 121.168 -0.957 . . . . 0.0 112.851 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -90.85 134.57 34.35 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.252 1.526 . . . . 0.0 111.699 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.889 HD23 ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -100.98 150.38 22.95 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.554 171.218 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.889 ' N ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -131.24 142.7 50.2 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.063 -1.023 . . . . 0.0 110.968 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 59' ' ' THR . 2.8 mt -125.85 117.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.801 0.81 . . . . 0.0 110.658 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -87.7 149.84 23.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.827 -0.546 . . . . 0.0 110.662 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.0 t60 62.07 117.62 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.802 1.286 . . . . 0.0 110.491 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.687 HD23 HD11 ' A' ' 100' ' ' LEU . 3.3 tm? -143.43 81.34 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.179 -0.951 . . . . 0.0 112.16 -168.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.42 -170.56 1.75 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.755 1.264 . . . . 0.0 110.261 170.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.412 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.8 m -47.87 -28.58 2.7 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.731 171.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.17 -47.63 14.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.789 0.804 . . . . 0.0 111.265 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.84 2.66 22.31 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.8 -0.562 . . . . 0.0 112.115 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.692 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -82.78 113.48 20.45 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.749 -1.219 . . . . 0.0 111.405 175.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -139.28 167.51 21.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.893 0.854 . . . . 0.0 111.195 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.133 HG22 HG21 ' A' ' 38' ' ' THR . 8.1 mt -86.04 148.65 4.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.533 0.682 . . . . 0.0 110.668 173.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 1.094 ' CD2' HD11 ' A' ' 19' ' ' LEU . 46.9 m-85 -141.87 155.95 45.52 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 112.066 -172.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -144.46 128.54 17.59 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.714 177.386 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.011 HG22 ' CD1' ' A' ' 85' ' ' ILE . 4.2 p -108.91 116.34 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.887 1.327 . . . . 0.0 111.717 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -116.03 123.15 47.26 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 123.814 0.846 . . . . 0.0 109.911 172.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.047 HG23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -130.72 117.85 40.08 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -173.632 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -114.47 -178.97 3.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 123.3 1.524 . . . . 0.0 113.541 -166.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.71 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 1.5 p30 -98.95 -176.99 3.49 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 122.473 1.13 . . . . 0.0 111.091 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.685 HG22 ' CG ' ' A' ' 31' ' ' ASP . 26.3 p -64.34 -32.58 74.24 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.416 -173.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -95.15 39.5 1.11 Allowed 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.062 -1.024 . . . . 0.0 112.713 -171.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.24 32.17 57.03 Favored Glycine 0 C--O 1.24 0.491 0 O-C-N 121.278 -0.889 . . . . 0.0 111.544 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.71 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 4.0 mmtt -87.47 -170.21 2.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.448 1.594 . . . . 0.0 111.454 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 108.74 5.28 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.458 170.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.4 m -98.54 -35.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.452 1.12 . . . . 0.0 112.333 -172.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.984 HD23 HD13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -146.08 147.74 31.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.177 -174.029 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.8 pt-20 -157.67 145.0 18.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.788 0.804 . . . . 0.0 110.886 -174.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.602 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -154.69 167.03 31.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.09 0.948 . . . . 0.0 111.289 -173.808 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.69 ' C ' ' HD1' ' A' ' 98' ' ' PHE . 3.2 mt -124.99 141.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 122.397 1.094 . . . . 0.0 111.061 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.903 ' CD2' HD23 ' A' ' 7' ' ' LEU . 2.8 m-85 -137.61 176.85 8.34 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.514 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.499 ' OD1' HG12 ' A' ' 80' ' ' ILE . 3.3 t0 -167.32 111.28 0.7 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.144 -0.973 . . . . 0.0 111.407 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.896 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -85.5 120.43 26.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.286 1.041 . . . . 0.0 110.994 176.6 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.692 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 51.0 mttt -121.62 166.58 14.02 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 123.501 1.619 . . . . 0.0 112.574 -173.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.639 HD11 HD13 ' A' ' 73' ' ' LEU . 1.2 mm -134.81 147.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.463 169.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -111.74 147.52 35.46 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.547 1.165 . . . . 0.0 111.852 -171.064 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -163.03 86.46 0.54 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.562 1.172 . . . . 0.0 110.759 -176.562 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.194 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.964 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.422 ' O7 ' ' C3 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MAN . . . . . 0.404 ' H2 ' ' H2 ' ' A' ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MAN . . . . . 0.404 ' H2 ' ' H2 ' ' A' ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.931 0.872 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -171.76 80.79 0.07 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.955 0.883 . . . . 0.0 111.179 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mm -78.83 139.47 18.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.811 0.815 . . . . 0.0 110.819 173.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.6 p -162.47 178.48 8.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 123.081 1.419 . . . . 0.0 111.509 -173.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.41 38.04 4.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 123.576 1.655 . . . . 0.0 109.547 172.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.63 174.35 6.12 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.387 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.737 HD23 ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -134.54 110.28 9.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.726 -174.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.22 91.93 0.03 OUTLIER 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.782 0.801 . . . . 0.0 110.887 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.58 118.91 37.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.703 0.763 . . . . 0.0 110.322 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -110.69 158.8 18.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.171 0.986 . . . . 0.0 112.27 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.35 146.07 12.06 Favored Glycine 0 C--O 1.243 0.713 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.501 ' HB3' ' OE1' ' A' ' 15' ' ' GLN . . . -92.76 156.11 17.23 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.654 -0.91 . . . . 0.0 110.602 173.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.725 HD12 ' CG2' ' A' ' 102' ' ' ILE . 2.2 mp -64.95 135.4 55.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.727 1.251 . . . . 0.0 111.365 -173.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.67 37.6 30.0 Favored Glycine 0 C--O 1.26 1.769 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.235 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.701 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -133.19 131.0 39.87 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 119.537 1.669 . . . . 0.0 111.912 -171.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.63 140.12 35.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.867 0.841 . . . . 0.0 110.359 173.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pt -142.36 -179.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 123.449 1.595 . . . . 0.0 112.877 -170.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -123.56 150.83 43.57 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.037 1.399 . . . . 0.0 112.268 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.088 HD13 ' CZ3' ' A' ' 35' ' ' TRP . 13.1 mt -103.45 119.56 39.12 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.442 172.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.55 117.44 34.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.487 1.613 . . . . 0.0 111.042 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.613 HG21 ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -81.13 164.42 50.42 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.601 -177.332 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.862 ' CG ' HD21 ' A' ' 94' ' ' LEU . 11.1 Cg_endo -48.51 -177.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.382 1 C-N-CA 127.522 5.482 . . . . 0.0 115.022 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -88.97 31.07 0.88 Allowed 'General case' 0 C--O 1.244 0.802 0 CA-C-N 114.484 -1.235 . . . . 0.0 112.145 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -102.23 149.99 23.75 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.52 -0.738 . . . . 0.0 110.594 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.64 124.06 27.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.83 . . . . 0.0 111.113 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.44 ' HB2' ' CG2' ' A' ' 30' ' ' ILE . 12.3 ptm -79.6 167.99 19.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.86 0.838 . . . . 0.0 111.039 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 t -172.2 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.493 1.139 . . . . 0.0 111.18 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -87.92 -27.41 22.16 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.704 -172.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -108.69 -29.4 8.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.552 -1.342 . . . . 0.0 113.843 -171.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.44 ' CG2' ' HB2' ' A' ' 26' ' ' MET . 0.6 OUTLIER -85.88 144.12 10.16 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 122.0 -0.438 . . . . 0.0 110.63 -176.003 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.87 -37.01 0.82 Allowed 'General case' 0 C--O 1.258 1.549 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -172.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.806 ' O ' HD13 ' A' ' 33' ' ' ILE . 92.6 m-20 -113.71 157.17 22.55 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.284 1.516 . . . . 0.0 111.677 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.97 HG23 ' CG2' ' A' ' 85' ' ' ILE . 1.1 mm -147.2 123.81 3.04 Favored 'Isoleucine or valine' 0 C--O 1.259 1.553 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.112 -174.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.4 138.94 50.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.93 1.824 . . . . 0.0 111.87 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 1.088 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 51.0 m95 -130.35 145.52 51.8 Favored 'General case' 0 C--O 1.25 1.121 0 C-N-CA 124.672 1.189 . . . . 0.0 109.928 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.55 163.35 33.15 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 121.332 -0.855 . . . . 0.0 110.736 -174.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.911 ' HG2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -100.79 97.26 7.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.585 1.183 . . . . 0.0 109.325 176.245 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.626 ' CG2' HG22 ' A' ' 80' ' ' ILE . 1.2 p -47.43 -30.62 3.48 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.82 -171.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -51.16 -41.4 60.13 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 121.775 -0.578 . . . . 0.0 112.406 -171.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -152.99 37.66 0.5 Allowed 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.18 -0.95 . . . . 0.0 112.324 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.631 ' HD2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 58.34 71.86 0.56 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.995 1.379 . . . . 0.0 111.184 172.252 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.911 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 10.4 tmtt? -129.88 85.06 2.26 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 122.258 1.028 . . . . 0.0 112.498 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.752 ' HB2' ' OE1' ' A' ' 46' ' ' GLN . 5.1 pttt -45.68 101.54 0.03 OUTLIER 'General case' 0 C--O 1.239 0.514 0 CA-C-O 122.617 1.198 . . . . 0.0 110.719 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.503 HG21 ' CD2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -91.33 -48.68 13.8 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.848 -172.417 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.967 ' HB1' HD13 ' A' ' 62' ' ' LEU . . . -125.33 142.13 51.67 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 121.506 -0.746 . . . . 0.0 110.566 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.752 ' OE1' ' HB2' ' A' ' 43' ' ' LYS . 4.5 mt-30 -156.15 156.14 33.71 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.828 1.299 . . . . 0.0 112.565 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CE1' HG21 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.92 112.93 12.85 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 123.59 0.756 . . . . 0.0 110.721 174.669 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -139.16 101.77 4.35 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.751 -0.593 . . . . 0.0 111.352 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.29 148.74 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.152 0.977 . . . . 0.0 110.685 175.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -89.32 40.83 1.0 Allowed 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.861 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.03 -10.9 9.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 173.352 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.569 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 43.4 tt0 169.11 97.72 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.911 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.46 HG21 ' CE1' ' A' ' 47' ' ' PHE . 8.6 p -78.74 175.11 10.76 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.608 0.718 . . . . 0.0 111.136 174.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -118.48 94.41 4.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.052 0.929 . . . . 0.0 110.902 173.709 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -164.94 57.99 0.13 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.961 0.886 . . . . 0.0 110.876 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -90.69 32.67 0.96 Allowed 'General case' 0 C--O 1.249 1.071 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.683 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.42 118.81 0.55 Allowed 'General case' 0 C--O 1.246 0.903 0 O-C-N 121.058 -1.026 . . . . 0.0 110.75 -176.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.77 -11.77 60.98 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.8 t -58.15 -26.1 62.27 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.301 -0.874 . . . . 0.0 110.649 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CE1' HG23 ' A' ' 70' ' ' ILE . 23.0 m-85 -150.01 93.25 1.99 Allowed 'General case' 0 C--O 1.248 0.976 0 O-C-N 121.837 -0.539 . . . . 0.0 110.536 171.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.674 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 6.7 tttp -125.79 135.17 51.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.999 0.904 . . . . 0.0 112.271 -172.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.967 HD13 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -80.34 151.19 29.59 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.156 0.583 . . . . 0.0 110.847 176.605 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.674 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 15.5 m-85 -109.88 174.13 6.01 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 121.165 -0.96 . . . . 0.0 111.299 174.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -65.86 -46.23 79.22 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 121.495 -0.753 . . . . 0.0 110.569 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -64.07 -20.13 65.73 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.448 -0.783 . . . . 0.0 110.385 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.613 ' O ' HG21 ' A' ' 21' ' ' ILE . . . 99.67 24.03 10.4 Favored Glycine 0 C--O 1.25 1.098 0 O-C-N 121.556 -0.715 . . . . 0.0 113.075 171.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.481 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -87.53 150.37 23.77 Favored 'General case' 0 C--O 1.247 0.971 0 O-C-N 120.857 -1.378 . . . . 0.0 110.731 173.043 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.986 HD22 HD12 ' A' ' 19' ' ' LEU . 7.7 tt -108.24 109.54 20.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.014 0.912 . . . . 0.0 111.613 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 11.8 ttmt -80.95 142.81 33.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.602 0.715 . . . . 0.0 110.963 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 59' ' ' THR . 2.3 mt -126.69 115.97 43.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-O 121.667 0.746 . . . . 0.0 110.624 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.41 135.15 35.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.64 0.733 . . . . 0.0 111.39 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t60 61.34 121.66 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.278 1.513 . . . . 0.0 111.362 -173.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.701 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 3.1 tm? -139.09 85.52 2.07 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.979 -1.076 . . . . 0.0 113.107 -178.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -107.28 -171.71 1.93 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.673 1.225 . . . . 0.0 109.834 169.153 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.423 ' HA ' HG13 ' A' ' 102' ' ' ILE . 88.3 m -47.18 -25.56 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.63 170.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.41 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -77.95 -49.05 14.89 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.833 0.825 . . . . 0.0 111.549 179.749 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.67 13.72 9.86 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.516 -0.74 . . . . 0.0 111.619 -176.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.577 ' HG3' HG12 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -93.21 101.49 13.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.317 1.056 . . . . 0.0 111.505 174.414 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.19 174.18 7.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.283 1.039 . . . . 0.0 111.183 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.626 HG22 ' CG2' ' A' ' 38' ' ' THR . 2.8 mp -96.54 151.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.91 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.835 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 73.8 m-85 -141.08 165.16 28.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.555 1.169 . . . . 0.0 111.423 -171.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 20.3 ttpt -151.58 133.82 15.24 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.697 173.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 85' ' ' ILE . 2.9 p -108.27 113.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.884 1.326 . . . . 0.0 110.94 -173.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.446 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 2.3 p -116.36 111.29 19.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.238 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.97 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -118.42 123.22 71.25 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -173.511 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.555 ' HA ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -113.82 180.0 3.8 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 120.989 -1.07 . . . . 0.0 111.816 -167.713 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.737 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -97.89 -171.29 2.14 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.092 0.949 . . . . 0.0 110.862 -177.255 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -24.53 56.36 Favored 'General case' 0 C--O 1.252 1.229 0 O-C-N 121.403 -0.81 . . . . 0.0 112.133 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -112.44 30.14 7.34 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 120.951 -1.093 . . . . 0.0 112.154 -173.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.78 18.07 69.96 Favored Glycine 0 C--O 1.25 1.119 0 O-C-N 121.282 -0.886 . . . . 0.0 113.126 173.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.737 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -90.25 123.12 33.77 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.121 -1.223 . . . . 0.0 111.472 -177.351 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.31 99.39 0.03 OUTLIER 'General case' 0 C--O 1.243 0.724 0 O-C-N 121.511 -0.743 . . . . 0.0 110.736 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -77.55 -50.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 123.209 1.48 . . . . 0.0 110.468 -179.516 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.862 HD21 ' CG ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -152.12 145.44 24.74 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.994 175.728 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -129.63 153.46 48.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 -178.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HB2' HG13 ' A' ' 83' ' ' VAL . 4.5 mmmt -146.5 163.75 34.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.519 ' O ' ' HD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -126.18 138.54 54.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.749 0.785 . . . . 0.0 110.904 -178.424 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.737 ' CD1' HD23 ' A' ' 7' ' ' LEU . 20.8 m-30 -134.16 172.08 13.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.161 0.981 . . . . 0.0 111.744 -172.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 1.5 p30 -158.36 111.71 2.41 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.487 0.66 . . . . 0.0 111.742 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.835 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.31 141.25 47.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.868 0.842 . . . . 0.0 110.962 173.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' H ' HD23 ' A' ' 100' ' ' LEU . 28.0 mttp -130.02 -176.73 4.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 123.193 1.473 . . . . 0.0 111.423 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.725 ' CG2' HD12 ' A' ' 13' ' ' LEU . 5.0 mm -142.82 140.36 27.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.832 170.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.06 145.34 25.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.258 -171.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.07 53.3 0.18 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 124.241 1.972 . . . . 0.0 110.405 -173.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 C--O 1.27 2.169 0 CA-C-N 113.432 -1.713 . . . . 0.0 111.012 -179.573 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.461 ' H83' ' O2 ' ' A' ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MAN . . . . . 0.461 ' O2 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MAN . . . . . 0.451 ' H4 ' ' C5 ' ' A' ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MAN . . . . . 0.451 ' C5 ' ' H4 ' ' A' ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.944 0.878 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -118.95 120.33 36.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.892 0.853 . . . . 0.0 110.98 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -148.71 136.89 14.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.868 0.842 . . . . 0.0 110.954 -175.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.9 p -127.84 168.21 15.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.948 0.88 . . . . 0.0 110.972 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.709 ' O ' HD12 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -139.18 45.45 1.97 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.386 1.089 . . . . 0.0 111.004 173.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 5' ' ' ASN . . . 179.81 167.75 1.21 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.113 0.958 . . . . 0.0 111.236 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.757 HD12 ' CE2' ' A' ' 98' ' ' PHE . 10.1 mt -142.58 78.94 1.64 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.205 1.002 . . . . 0.0 110.689 173.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -47.19 104.26 0.05 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.162 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.82 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -112.75 159.62 18.77 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.906 -0.496 . . . . 0.0 110.393 176.585 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -147.92 159.58 43.71 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 121.744 -0.597 . . . . 0.0 110.539 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.79 -170.45 24.38 Favored Glycine 0 C--O 1.239 0.413 0 CA-C-O 123.074 1.374 . . . . 0.0 112.731 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.524 ' HB3' ' OE1' ' A' ' 15' ' ' GLN . . . -124.97 170.79 10.77 Favored 'General case' 0 C--O 1.242 0.664 0 O-C-N 121.543 -0.975 . . . . 0.0 110.688 173.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.086 ' CD1' HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -89.96 134.33 34.29 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.592 1.663 . . . . 0.0 113.415 -172.556 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 47.04 7.06 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -172.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.524 ' OE1' ' HB3' ' A' ' 12' ' ' ALA . 1.2 tt0 -157.87 142.77 16.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 124.831 2.253 . . . . 0.0 116.164 -167.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 158.34 21.9 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.045 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.025 ' CG2' HD21 ' A' ' 100' ' ' LEU . 8.7 tt -160.32 156.13 3.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.958 0.885 . . . . 0.0 110.811 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -116.74 121.24 41.03 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.237 1.018 . . . . 0.0 111.513 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.938 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 6.5 mt -79.58 107.69 12.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.934 0.874 . . . . 0.0 110.119 172.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -151.48 0.09 Allowed 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -171.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.901 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -165.74 150.39 7.63 Favored Pre-proline 0 C--N 1.318 -0.767 0 O-C-N 121.484 -0.76 . . . . 0.0 110.363 -172.341 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.901 ' HD2' HG12 ' A' ' 21' ' ' ILE . 10.5 Cg_exo -40.49 177.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.439 1 C-N-CA 126.941 5.094 . . . . 0.0 116.143 177.315 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.59 31.6 0.75 Allowed 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.691 -172.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.03 ' HD2' HD12 ' A' ' 94' ' ' LEU . 22.7 m-85 -107.28 164.8 11.87 Favored 'General case' 0 C--O 1.244 0.815 0 O-C-N 121.479 -0.763 . . . . 0.0 110.557 171.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -139.69 114.09 9.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.973 0.892 . . . . 0.0 111.055 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.96 ' HG2' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -80.3 171.38 15.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.866 0.841 . . . . 0.0 110.826 177.401 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -97.77 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.093 0.949 . . . . 0.0 110.736 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.33 -27.25 24.42 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.049 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -83.63 -28.02 28.73 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.235 -0.916 . . . . 0.0 113.107 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.96 HD12 ' HG2' ' A' ' 26' ' ' MET . 1.9 mt -86.6 142.0 13.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 -175.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.76 -30.25 4.18 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -171.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' C ' HG12 ' A' ' 33' ' ' ILE . 4.3 m-20 -133.19 168.32 18.76 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.163 1.459 . . . . 0.0 111.87 -172.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.986 HG23 HG23 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -148.41 153.45 11.41 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.549 -173.214 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -158.36 144.4 17.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.739 1.733 . . . . 0.0 112.593 172.468 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.938 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 32.7 m95 -137.25 109.28 7.19 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.162 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.07 167.69 9.87 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.167 0.984 . . . . 0.0 110.796 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 44' ' ' ILE . 4.0 mttt -94.8 -178.03 4.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.412 1.101 . . . . 0.0 111.107 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 1.036 HG22 ' HB ' ' A' ' 80' ' ' ILE . 39.4 p -45.63 -120.62 0.0 OUTLIER 'General case' 0 C--O 1.256 1.443 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 1.3 m -74.49 -22.59 58.99 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 119.775 -1.828 . . . . 0.0 110.44 -172.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.764 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -61.94 -36.34 81.12 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.277 172.266 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.764 ' HG3' ' C ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 49.56 45.19 24.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.76 1.267 . . . . 0.0 110.185 -178.802 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.798 ' HB3' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -118.72 111.58 18.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.625 1.202 . . . . 0.0 110.965 -172.546 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' O ' ' HE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -49.57 95.9 0.01 OUTLIER 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.661 -173.627 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.457 HG23 ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.35 -31.54 52.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 121.697 -0.627 . . . . 0.0 110.669 171.214 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.572 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -140.45 135.89 32.45 Favored 'General case' 0 C--O 1.259 1.559 0 O-C-N 121.75 -0.594 . . . . 0.0 110.573 -174.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' HB3' ' HD2' ' A' ' 54' ' ' PHE . 4.5 tt0 -159.2 156.47 28.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 123.808 1.766 . . . . 0.0 113.824 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' HD1' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -120.51 135.0 55.2 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.431 172.519 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.544 ' N ' ' HD1' ' A' ' 47' ' ' PHE . 18.1 ttt180 -162.75 114.18 1.53 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.456 0.646 . . . . 0.0 111.129 -177.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 tptm 68.13 146.65 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.966 0.888 . . . . 0.0 110.607 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -90.26 35.93 0.87 Allowed 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.636 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -120.08 -8.4 9.75 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 178.81 145.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.044 -174.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 p -121.94 168.83 11.44 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.644 0.735 . . . . 0.0 111.048 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.575 ' HD2' ' HB3' ' A' ' 46' ' ' GLN . 3.0 t80 -109.45 97.16 6.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.642 0.734 . . . . 0.0 110.975 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.31 92.42 0.73 Allowed 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -75.51 -31.85 60.31 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.666 -0.647 . . . . 0.0 111.565 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -150.09 158.39 44.12 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.433 -0.792 . . . . 0.0 110.896 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -22.12 60.97 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.566 -0.709 . . . . 0.0 112.707 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 59.0 m -48.52 -23.04 0.85 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.055 0.455 . . . . 0.0 110.325 174.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.627 ' HE2' ' CE2' ' A' ' 81' ' ' TYR . 22.8 m-85 -150.97 83.88 1.33 Allowed 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 172.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.729 ' HB3' ' HE1' ' A' ' 63' ' ' PHE . 1.4 tttt -94.29 158.78 15.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.918 1.342 . . . . 0.0 112.482 -172.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.859 HD11 HG21 ' A' ' 33' ' ' ILE . 15.7 tp -117.04 145.44 43.71 Favored 'General case' 0 C--O 1.254 1.337 0 C-N-CA 124.126 0.97 . . . . 0.0 109.865 172.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.754 ' HD1' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -126.89 168.44 14.49 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.959 -1.088 . . . . 0.0 111.294 178.099 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -33.22 73.35 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.62 0.724 . . . . 0.0 111.148 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -84.64 9.13 14.6 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.533 -0.729 . . . . 0.0 112.102 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.57 17.15 64.58 Favored Glycine 0 C--O 1.252 1.219 0 O-C-N 120.857 -1.152 . . . . 0.0 112.851 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -90.22 149.72 22.28 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.842 -1.387 . . . . 0.0 111.081 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -129.25 115.81 18.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.758 0.79 . . . . 0.0 111.101 173.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 tttt -104.26 105.92 16.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.913 -0.492 . . . . 0.0 111.884 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -99.71 118.74 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.547 1.165 . . . . 0.0 108.667 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -91.24 136.15 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 118.65 2.833 . . . . 0.0 118.65 -165.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.469 ' O ' HD23 ' A' ' 73' ' ' LEU . 55.8 t-80 35.16 85.42 0.01 OUTLIER 'General case' 0 C--O 1.242 0.666 0 C-N-CA 127.592 2.357 . . . . 0.0 115.014 166.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.866 ' HB2' ' CG ' ' A' ' 77' ' ' ASP . 61.4 mt -158.29 169.87 23.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 125.378 2.513 . . . . 0.0 114.073 174.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 -153.86 0.33 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.295 -171.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.499 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 67.8 m -48.92 -23.06 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.799 -1.188 . . . . 0.0 112.955 172.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -46.87 88.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.502 1.144 . . . . 0.0 111.962 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.866 ' CG ' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -69.37 -11.36 60.76 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.056 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 102' ' ' ILE . 2.0 tm0? -79.97 115.94 19.83 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.261 -0.9 . . . . 0.0 110.77 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.498 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 8.7 m-20 -153.55 173.08 16.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.513 1.149 . . . . 0.0 111.151 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.036 ' HB ' HG22 ' A' ' 38' ' ' THR . 1.0 OUTLIER -96.32 131.91 41.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-O 123.381 1.562 . . . . 0.0 110.607 173.019 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.627 ' CE2' ' HE2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -126.36 167.19 15.87 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.322 1.049 . . . . 0.0 110.631 -173.095 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.748 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 3.0 ttpm? -153.37 130.17 10.89 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.167 -0.958 . . . . 0.0 110.705 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.991 ' CG2' HD11 ' A' ' 85' ' ' ILE . 12.2 p -103.23 127.53 57.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 122.687 1.232 . . . . 0.0 111.457 -173.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -133.45 107.46 8.06 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 123.643 0.777 . . . . 0.0 110.423 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.991 HD11 ' CG2' ' A' ' 83' ' ' VAL . 2.0 mm -116.19 119.55 62.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.559 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.033 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.523 ' O ' HG23 ' A' ' 30' ' ' ILE . 4.6 m-85 -111.34 162.96 14.48 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 120.212 -1.555 . . . . 0.0 112.922 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.696 ' HB3' HG11 ' A' ' 93' ' ' VAL . 10.3 p-10 -88.54 -168.96 2.36 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.793 1.282 . . . . 0.0 111.263 174.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -30.21 71.27 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.46 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -89.83 16.33 8.28 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.44 -0.787 . . . . 0.0 112.414 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 16.37 70.39 Favored Glycine 0 C--O 1.252 1.228 0 O-C-N 120.887 -1.133 . . . . 0.0 112.459 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.19 143.16 27.21 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.018 -1.283 . . . . 0.0 111.282 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -78.72 84.51 4.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.262 1.03 . . . . 0.0 110.573 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.696 HG11 ' HB3' ' A' ' 87' ' ' ASP . 2.4 m -70.34 -18.6 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.742 0.782 . . . . 0.0 112.536 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.03 HD12 ' HD2' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -152.22 146.76 25.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.897 0.856 . . . . 0.0 110.88 174.148 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -154.07 152.34 30.35 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.352 0.596 . . . . 0.0 110.736 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.748 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -173.21 162.03 4.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.357 1.075 . . . . 0.0 111.297 -176.724 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 5' ' ' ASN . 5.1 mt -114.26 141.03 32.03 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.755 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.784 ' CE1' HG12 ' A' ' 83' ' ' VAL . 6.3 m-85 -136.53 167.32 21.59 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.455 -0.778 . . . . 0.0 111.197 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -161.56 87.39 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.031 0.92 . . . . 0.0 111.038 -173.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.025 HD21 ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.9 103.56 0.6 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.143 0.973 . . . . 0.0 111.111 173.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.451 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -101.98 161.72 13.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 123.264 1.507 . . . . 0.0 112.036 176.651 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 1.086 HD12 ' CD1' ' A' ' 13' ' ' LEU . 1.2 mm -127.6 153.33 36.73 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.623 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -143.49 143.23 31.48 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.724 1.25 . . . . 0.0 111.794 -171.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.16 54.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 124.512 2.101 . . . . 0.0 110.527 -173.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 C--O 1.27 2.149 0 CA-C-N 113.287 -1.779 . . . . 0.0 111.142 176.275 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 106' ' ' NAG . . . . . 0.452 ' H5 ' ' CD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 C--O 1.24 0.59 0 CA-C-O 121.935 0.874 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -129.27 83.64 2.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.825 0.821 . . . . 0.0 111.01 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mt -108.61 163.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.039 0.923 . . . . 0.0 111.079 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.1 p -100.38 175.55 5.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.593 1.187 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -134.09 43.94 2.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.861 1.315 . . . . 0.0 110.542 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.89 173.45 6.32 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 122.76 1.267 . . . . 0.0 111.535 -175.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 11.2 mt -127.85 94.67 4.0 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.541 1.162 . . . . 0.0 111.19 -173.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.44 107.55 0.15 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.054 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.61 141.97 45.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.724 0.773 . . . . 0.0 110.964 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -131.38 159.78 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.05 0.929 . . . . 0.0 111.085 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.86 -153.3 6.35 Favored Glycine 0 C--O 1.239 0.452 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.75 ' HA ' HG23 ' A' ' 102' ' ' ILE . . . -161.63 146.29 13.15 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 110.766 173.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.876 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -50.64 118.65 3.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 123.401 1.572 . . . . 0.0 110.64 174.036 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.876 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 90.18 43.98 4.84 Favored Glycine 0 C--O 1.245 0.84 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 174.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.696 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 2.1 tp60 -130.15 169.88 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 123.561 1.648 . . . . 0.0 112.951 -171.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.443 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -126.43 138.97 53.59 Favored 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 172.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.683 HG21 HD21 ' A' ' 100' ' ' LEU . 4.8 tp -147.49 172.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.579 1.18 . . . . 0.0 112.295 -171.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -131.33 138.73 49.33 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.094 0.95 . . . . 0.0 111.738 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.023 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.6 OUTLIER -87.11 95.21 9.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.576 0.703 . . . . 0.0 110.227 172.224 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.31 108.84 20.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.118 1.437 . . . . 0.0 111.603 -171.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.952 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 11.0 tp -70.26 154.79 94.28 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.035 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.952 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 10.4 Cg_exo -41.65 -175.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.386 1 C-N-CA 127.318 5.345 . . . . 0.0 116.346 173.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 29.78 0.74 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.717 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -104.85 122.71 46.32 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.435 0.636 . . . . 0.0 110.594 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.21 143.54 50.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.038 0.923 . . . . 0.0 111.398 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.415 ' HB2' ' CG2' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -71.82 154.54 41.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.924 0.869 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.8 t -132.94 -122.7 0.18 Allowed 'General case' 0 C--O 1.254 1.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 -175.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -88.12 -27.43 21.92 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 120.708 -1.245 . . . . 0.0 112.045 -173.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.7 -26.81 20.48 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.203 -0.936 . . . . 0.0 113.113 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 86' ' ' TYR . 30.7 mt -87.52 161.67 2.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 CA-C-O 121.125 0.488 . . . . 0.0 110.817 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HB2' HG22 ' A' ' 88' ' ' THR . 0.4 OUTLIER -150.07 -36.68 0.15 Allowed 'General case' 0 C--O 1.262 1.762 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.0 158.76 16.07 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.197 -1.564 . . . . 0.0 112.034 -171.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.053 HG23 HD13 ' A' ' 85' ' ' ILE . 5.2 mt -140.07 157.53 25.61 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.651 173.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -158.72 141.14 14.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.535 1.636 . . . . 0.0 112.228 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 1.023 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 38.7 m95 -133.36 120.84 21.5 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.011 172.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.6 150.97 22.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.67 0.748 . . . . 0.0 110.689 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.865 ' HB3' HG23 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -102.75 145.27 29.98 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.928 -0.482 . . . . 0.0 109.958 176.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.811 HG21 ' CG2' ' A' ' 80' ' ' ILE . 7.8 p -76.39 -37.12 57.62 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 121.354 -0.841 . . . . 0.0 111.701 -171.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -64.61 0.78 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.883 0.849 . . . . 0.0 111.143 -173.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -11.03 40.55 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.258 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 59.12 62.44 1.85 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.821 1.296 . . . . 0.0 110.471 -173.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -152.03 128.08 10.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 123.199 1.476 . . . . 0.0 112.964 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.92 97.89 0.01 OUTLIER 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.109 0.964 . . . . 0.0 112.544 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.865 HG23 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -68.11 -28.42 40.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.91 0 O-C-N 121.852 -0.53 . . . . 0.0 111.329 172.211 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . . . -144.39 146.83 32.74 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.231 -0.918 . . . . 0.0 110.768 -177.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.56 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.0 tt0 -168.56 159.69 10.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 123.512 1.625 . . . . 0.0 112.834 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.56 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -123.51 134.52 53.87 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.821 175.127 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -167.98 126.02 1.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.973 0.892 . . . . 0.0 111.53 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 51' ' ' LYS . 1.1 tttp 69.09 142.46 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.006 0.908 . . . . 0.0 110.999 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -90.59 36.98 0.9 Allowed 'General case' 0 C--O 1.251 1.151 0 O-C-N 121.822 -0.549 . . . . 0.0 111.665 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -120.24 -9.34 9.55 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 173.543 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER 172.14 150.7 0.06 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.211 -1.359 . . . . 0.0 110.949 -176.069 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.487 HG21 ' HE1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.68 -172.02 2.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.676 0.751 . . . . 0.0 111.038 -174.388 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' HD2' ' HA ' ' A' ' 45' ' ' ALA . 43.9 t80 -127.0 94.6 4.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.905 0.859 . . . . 0.0 111.246 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -159.34 62.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.252 1.025 . . . . 0.0 110.612 173.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -26.55 47.14 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.696 -172.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 59' ' ' THR . 11.2 mmmt -149.31 168.03 24.45 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.94 -1.1 . . . . 0.0 111.292 -173.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.26 -10.56 56.36 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.667 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 70' ' ' ILE . 10.2 t -65.12 -21.33 66.78 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.266 -0.897 . . . . 0.0 110.916 173.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.879 ' HE1' ' HE2' ' A' ' 81' ' ' TYR . 21.9 m-85 -150.09 92.42 1.88 Allowed 'General case' 0 C--O 1.245 0.824 0 O-C-N 121.596 -0.69 . . . . 0.0 110.754 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' HE2' ' HB3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -110.77 154.55 23.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.698 1.237 . . . . 0.0 111.858 -173.243 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.972 HD11 HG21 ' A' ' 33' ' ' ILE . 4.9 tp -108.25 150.03 27.82 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.741 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -128.85 177.43 7.09 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.176 -0.952 . . . . 0.0 111.361 177.325 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -72.6 -40.97 66.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.768 0.794 . . . . 0.0 111.423 -173.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -87.22 15.39 6.32 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.936 -0.477 . . . . 0.0 112.182 -173.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' HA2' HD12 ' A' ' 85' ' ' ILE . . . 77.89 22.94 67.83 Favored Glycine 0 C--O 1.251 1.175 0 O-C-N 121.0 -1.063 . . . . 0.0 112.409 -177.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -90.59 141.14 29.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 120.951 -1.323 . . . . 0.0 111.132 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.839 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.5 tt -107.74 153.07 23.5 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.399 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 tmmt? -134.27 114.16 12.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -108.68 103.05 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 122.229 1.014 . . . . 0.0 110.736 -178.147 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -89.3 140.69 29.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 -173.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 61.68 123.27 0.01 OUTLIER 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.95 1.357 . . . . 0.0 110.822 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.696 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -139.82 163.35 32.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.751 1.263 . . . . 0.0 109.319 -171.264 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.78 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -153.58 -148.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.446 168.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.459 ' HA ' HG13 ' A' ' 102' ' ' ILE . 96.2 m -82.0 -29.96 31.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 123.7 1.714 . . . . 0.0 109.431 164.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -54.05 12.58 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.213 172.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.476 ' CB ' ' HA ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.11 -0.87 10.59 Favored 'General case' 0 C--O 1.254 1.341 0 O-C-N 121.016 -1.052 . . . . 0.0 110.604 -177.028 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.467 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -87.58 137.85 31.98 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.691 -1.256 . . . . 0.0 110.625 171.777 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-20 -158.49 167.5 29.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.272 1.034 . . . . 0.0 111.769 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.811 ' CG2' HG21 ' A' ' 38' ' ' THR . 2.4 mp -92.22 143.53 11.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 O-C-N 121.703 -0.623 . . . . 0.0 110.044 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.879 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 84.1 m-85 -134.07 169.38 17.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.988 0.899 . . . . 0.0 110.826 -171.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.8 128.03 12.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.887 0.851 . . . . 0.0 110.808 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 21' ' ' ILE . 3.7 p -104.99 115.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.572 1.177 . . . . 0.0 110.896 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.61 119.64 28.63 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.601 0.761 . . . . 0.0 110.079 176.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.053 HD13 HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -125.53 129.52 72.81 Favored 'Isoleucine or valine' 0 C--O 1.26 1.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -172.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -124.48 165.13 18.32 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 120.203 -1.56 . . . . 0.0 112.472 -167.378 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.479 ' OD1' HG13 ' A' ' 93' ' ' VAL . 3.9 p-10 -79.43 -174.56 4.28 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 122.317 1.055 . . . . 0.0 111.088 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -60.91 -32.0 71.5 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.582 -177.803 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -95.53 25.27 4.59 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.419 -0.801 . . . . 0.0 112.33 -173.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.82 25.03 70.32 Favored Glycine 0 C--O 1.249 1.044 0 O-C-N 121.006 -1.059 . . . . 0.0 112.727 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.52 127.66 36.31 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.174 -1.192 . . . . 0.0 111.264 173.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 93.22 1.69 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.006 0.908 . . . . 0.0 110.713 175.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.479 HG13 ' OD1' ' A' ' 87' ' ' ASP . 29.6 m -76.63 -37.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.59 1.186 . . . . 0.0 111.689 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.726 HD22 ' H ' ' A' ' 95' ' ' GLU . 0.8 OUTLIER -155.67 142.15 18.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.609 1.195 . . . . 0.0 110.778 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.726 ' H ' HD22 ' A' ' 94' ' ' LEU . 13.3 pt-20 -145.36 170.88 15.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.507 1.146 . . . . 0.0 111.884 -172.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HD3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -170.59 159.25 6.64 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.917 -178.243 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.73 129.56 75.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 CA-C-O 121.364 0.602 . . . . 0.0 110.885 -178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.825 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 19.4 m-85 -115.99 171.64 7.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.913 0.863 . . . . 0.0 111.271 -174.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.99 94.12 1.5 Allowed 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.872 -0.518 . . . . 0.0 111.506 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 101' ' ' LYS . 1.5 tm? -77.08 130.89 38.0 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.318 -0.864 . . . . 0.0 110.908 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.742 ' N ' HD13 ' A' ' 100' ' ' LEU . 47.3 mttt -133.69 171.34 14.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.051 0.929 . . . . 0.0 111.352 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.75 HG23 ' HA ' ' A' ' 12' ' ' ALA . 31.7 mm -120.72 145.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 122.049 0.928 . . . . 0.0 110.526 172.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.15 141.35 50.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.487 -174.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.57 86.11 0.57 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.055 1.407 . . . . 0.0 110.631 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.5 ptt85 . . . . . 0 C--O 1.27 2.172 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.075 -177.844 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 106' ' ' NAG . . . . . 0.584 ' H5 ' ' HD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.953 0.883 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -141.0 71.28 1.36 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.856 0.836 . . . . 0.0 110.995 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 mm -88.05 113.88 25.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.769 0.795 . . . . 0.0 110.96 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p -162.08 174.49 12.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.655 1.217 . . . . 0.0 111.547 -173.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.61 46.36 1.49 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.481 1.134 . . . . 0.0 110.442 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.52 177.93 8.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.439 1.59 . . . . 0.0 112.152 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.044 HD23 ' CD2' ' A' ' 98' ' ' PHE . 9.1 tp -127.75 123.39 35.21 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.65 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.89 94.0 0.3 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.869 0.843 . . . . 0.0 110.956 173.616 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.876 HG21 HD23 ' A' ' 19' ' ' LEU . 2.4 m -101.51 100.68 11.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.867 0.842 . . . . 0.0 110.822 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.529 ' O ' HD12 ' A' ' 17' ' ' ILE . 95.9 m95 -98.23 157.15 16.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.026 0.917 . . . . 0.0 111.579 -173.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.595 ' HA3' HG21 ' A' ' 17' ' ' ILE . . . -157.18 -144.75 4.02 Favored Glycine 0 C--O 1.24 0.475 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 1.055 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -139.56 166.33 24.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.877 0.846 . . . . 0.0 110.934 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 9.4 tt -93.16 116.72 29.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.829 1.299 . . . . 0.0 110.63 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.42 44.12 8.15 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -169.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 1.055 ' CG ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -127.34 -170.52 2.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 124.38 2.038 . . . . 0.0 112.855 -169.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.44 126.12 17.95 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.723 171.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.595 HG21 ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -142.03 173.55 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.516 0 CA-C-O 122.633 1.206 . . . . 0.0 111.364 -172.216 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' N ' HG13 ' A' ' 17' ' ' ILE . 36.5 m-80 -119.57 173.6 6.9 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 123.759 1.743 . . . . 0.0 112.855 -173.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.979 ' CD1' HD23 ' A' ' 68' ' ' LEU . 11.4 mt -127.09 124.23 38.73 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 125.202 1.401 . . . . 0.0 109.793 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.1 -163.95 1.11 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.0 1.381 . . . . 0.0 111.565 -171.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.911 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.73 157.6 14.4 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.559 -171.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.923 ' HG2' HD21 ' A' ' 94' ' ' LEU . 21.1 Cg_exo -43.11 169.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.552 1 C-N-CA 126.579 4.853 . . . . 0.0 115.214 -178.078 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.99 31.97 0.94 Allowed 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.441 -0.787 . . . . 0.0 111.884 -173.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -90.52 168.37 11.87 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.317 -0.864 . . . . 0.0 110.836 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -126.44 66.28 1.23 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.357 1.075 . . . . 0.0 111.045 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -55.6 131.32 46.04 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.467 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -124.34 -120.31 0.27 Allowed 'General case' 0 C--O 1.254 1.298 0 O-C-N 121.311 -0.868 . . . . 0.0 110.216 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.93 12.01 4.5 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 120.738 -1.226 . . . . 0.0 112.53 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -93.1 -28.02 16.59 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.741 -1.224 . . . . 0.0 112.855 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 93' ' ' VAL . 2.1 mm -90.07 145.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.749 0.785 . . . . 0.0 111.152 -173.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.27 -37.96 1.62 Allowed 'General case' 0 C--O 1.251 1.136 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.209 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' C ' HG12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -116.32 155.99 27.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.765 1.269 . . . . 0.0 111.659 -172.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.088 HG23 HG23 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -149.73 132.0 6.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.507 -176.344 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -140.73 135.76 31.88 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.134 1.445 . . . . 0.0 112.103 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.939 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 55.8 m95 -131.2 125.41 32.88 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.917 172.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.01 159.62 25.26 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-O 121.432 0.635 . . . . 0.0 110.847 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 26.7 ttpt -84.21 97.26 9.29 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.72 HG23 ' C ' ' A' ' 81' ' ' TYR . 19.3 p -35.55 -42.22 0.22 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -171.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -64.18 -71.23 0.18 Allowed 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.487 0.66 . . . . 0.0 112.211 -173.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 19.62 15.4 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 121.344 -0.848 . . . . 0.0 113.059 -172.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.67 61.69 2.87 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 120.978 -1.076 . . . . 0.0 110.46 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' ILE . 20.9 mttp -119.35 94.38 4.4 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 122.597 1.189 . . . . 0.0 112.422 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -44.8 99.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.046 0.927 . . . . 0.0 111.445 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.919 HD12 ' CD1' ' A' ' 60' ' ' TYR . 28.1 pt -92.33 -45.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.135 0.969 . . . . 0.0 110.976 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.732 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -133.95 142.44 47.69 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.529 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.529 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 5.2 tt0 -160.61 153.95 21.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.106 1.432 . . . . 0.0 112.414 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 46' ' ' GLN . 2.0 m-85 -138.01 85.75 2.12 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.744 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -104.96 79.3 1.49 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-O 121.284 0.564 . . . . 0.0 111.184 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 69.13 154.59 0.12 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.362 1.077 . . . . 0.0 110.164 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -86.91 40.01 0.88 Allowed 'General case' 0 C--O 1.249 1.078 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.297 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.84 -6.93 11.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.633 1.206 . . . . 0.0 113.918 172.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -175.77 75.25 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.837 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.18 171.55 10.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.866 0.841 . . . . 0.0 111.269 -173.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' C ' ' HD1' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -132.67 101.25 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.764 0.792 . . . . 0.0 111.27 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 53.59 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.865 0.841 . . . . 0.0 111.106 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -1.45 28.56 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -173.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.633 ' HB3' HG22 ' A' ' 59' ' ' THR . 8.6 tttm -155.07 149.84 26.59 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 120.811 -1.18 . . . . 0.0 111.303 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -74.37 -17.53 60.8 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.633 HG22 ' HB3' ' A' ' 57' ' ' LYS . 10.2 t -52.01 -26.5 10.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.86 0.838 . . . . 0.0 110.731 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.919 ' CD1' HD12 ' A' ' 44' ' ' ILE . 49.3 m-85 -150.67 96.02 2.31 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 121.223 0.535 . . . . 0.0 110.614 171.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.65 126.0 53.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.894 0.854 . . . . 0.0 111.694 -172.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.732 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 1.1 tp -86.7 141.56 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 121.479 -0.763 . . . . 0.0 111.196 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.623 ' H ' HD12 ' A' ' 62' ' ' LEU . 22.7 m-85 -112.51 173.67 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.993 0.901 . . . . 0.0 111.256 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -77.3 -39.98 45.98 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.743 0.782 . . . . 0.0 111.154 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -70.43 -5.17 26.51 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 121.679 -0.638 . . . . 0.0 111.843 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.78 17.32 33.32 Favored Glycine 0 C--O 1.252 1.232 0 O-C-N 120.84 -1.162 . . . . 0.0 112.462 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 19' ' ' LEU . 1.3 m -90.1 168.17 12.18 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 120.86 -1.376 . . . . 0.0 110.947 173.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.979 HD23 ' CD1' ' A' ' 19' ' ' LEU . 18.3 tp -135.12 130.34 35.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.715 0.769 . . . . 0.0 111.026 174.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -107.96 126.14 52.35 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.378 -0.827 . . . . 0.0 110.902 -173.609 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.488 HG13 ' CE1' ' A' ' 60' ' ' TYR . 1.1 tt -121.83 112.53 35.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.752 1.263 . . . . 0.0 110.102 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.88 149.17 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.56 1.172 . . . . 0.0 112.009 -172.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 49.68 81.03 0.06 Allowed 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.18 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.033 HD23 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -132.93 100.95 5.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.861 1.791 . . . . 0.0 113.095 -173.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.19 -159.19 0.66 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.115 171.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 m -49.86 -28.98 7.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.518 1.151 . . . . 0.0 111.978 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -32.62 31.12 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.219 -173.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -73.97 -19.54 60.63 Favored 'General case' 0 C--O 1.255 1.37 0 O-C-N 121.219 -0.926 . . . . 0.0 111.99 177.491 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.636 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -69.22 103.59 1.98 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.099 -1.001 . . . . 0.0 110.938 -174.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -133.96 162.79 31.1 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 110.92 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.516 HG22 ' OG1' ' A' ' 38' ' ' THR . 0.1 OUTLIER -89.16 147.2 5.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.768 0.794 . . . . 0.0 110.539 175.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.91 ' CD2' HD11 ' A' ' 19' ' ' LEU . 14.5 m-85 -138.27 166.46 24.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.078 0.942 . . . . 0.0 111.522 -171.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -154.35 129.07 9.33 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.785 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.811 HG12 ' CE1' ' A' ' 98' ' ' PHE . 9.8 p -101.97 121.47 53.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 122.7 1.238 . . . . 0.0 111.314 -173.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.664 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 85.1 p -117.29 112.87 21.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.462 173.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.088 HG23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -121.82 119.27 58.25 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-O 121.305 0.574 . . . . 0.0 109.912 -173.323 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.686 ' N ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -115.19 160.36 19.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.702 1.239 . . . . 0.0 112.588 -167.319 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' CG ' ' CG1' ' A' ' 93' ' ' VAL . 31.3 p30 -90.6 -176.35 4.71 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.544 1.164 . . . . 0.0 111.37 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -29.43 67.88 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.921 -175.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -93.89 26.03 3.37 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 121.215 -0.928 . . . . 0.0 112.512 -172.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.18 11.04 66.71 Favored Glycine 0 C--O 1.25 1.148 0 O-C-N 120.934 -1.104 . . . . 0.0 113.307 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 133.5 35.18 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 121.104 -1.233 . . . . 0.0 111.556 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -73.59 87.99 1.66 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.022 1.868 . . . . 0.0 109.436 172.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.896 HG21 HD11 ' A' ' 30' ' ' ILE . 19.5 m -72.15 -31.63 40.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 114.815 -1.084 . . . . 0.0 112.292 -172.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.923 HD21 ' HG2' ' A' ' 22' ' ' PRO . 29.8 tp -152.09 156.55 40.12 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.224 1.012 . . . . 0.0 110.836 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -160.29 151.28 19.01 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.793 0.806 . . . . 0.0 110.947 -172.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.811 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 9.9 mmtt -157.35 160.27 38.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.849 0.833 . . . . 0.0 110.867 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -114.51 141.0 32.52 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 121.605 0.717 . . . . 0.0 110.819 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 1.044 ' CD2' HD23 ' A' ' 7' ' ' LEU . 12.7 m-85 -142.29 178.21 7.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.925 0.869 . . . . 0.0 111.418 -173.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.495 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -177.21 117.25 0.1 Allowed 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.49 0.662 . . . . 0.0 111.922 176.469 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.033 HD21 HD23 ' A' ' 73' ' ' LEU . 1.1 tp -57.0 163.07 2.16 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.513 -0.742 . . . . 0.0 110.749 172.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.729 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 1.3 mttt -151.14 162.88 40.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.645 1.212 . . . . 0.0 111.769 173.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 13' ' ' LEU . 19.8 mm -117.52 141.66 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.006 0.908 . . . . 0.0 109.741 170.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.672 ' HG3' ' N ' ' A' ' 104' ' ' GLU . 1.1 tt0 -126.75 163.54 23.3 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.757 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.672 ' N ' ' HG3' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -163.99 87.3 0.5 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.875 1.322 . . . . 0.0 110.719 -173.622 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.271 2.186 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.157 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' NAG . . . . . 0.47 ' H62' ' C7 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.47 ' C7 ' ' H62' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' HB2' ' HE2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.586 0 CA-C-O 121.965 0.888 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -168.37 149.02 4.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.995 0.903 . . . . 0.0 110.973 -174.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.29 103.91 15.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.986 0.898 . . . . 0.0 110.96 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.9 p -159.87 175.64 12.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.292 1.044 . . . . 0.0 110.904 -176.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -129.19 41.2 3.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 123.109 1.433 . . . . 0.0 110.192 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.4 172.95 15.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.878 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.071 HD12 ' CE2' ' A' ' 98' ' ' PHE . 85.4 mt -115.71 113.18 23.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.796 0.808 . . . . 0.0 111.155 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.41 86.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.544 1.164 . . . . 0.0 109.582 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.41 132.48 43.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.518 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -130.04 152.86 49.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.741 0.782 . . . . 0.0 111.359 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.4 -146.92 4.71 Favored Glycine 0 C--O 1.24 0.5 0 CA-C-O 121.968 0.76 . . . . 0.0 111.361 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.632 ' C ' HD13 ' A' ' 102' ' ' ILE . . . -150.59 134.13 16.47 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.86 -0.788 . . . . 0.0 111.03 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -48.62 122.04 5.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.636 1.684 . . . . 0.0 110.776 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.927 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 94.43 42.23 4.01 Favored Glycine 0 C--O 1.245 0.784 0 N-CA-C 108.452 -1.859 . . . . 0.0 108.452 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' O ' HD22 ' A' ' 73' ' ' LEU . 3.9 tt0 -150.34 154.09 37.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.461 2.077 . . . . 0.0 115.102 -169.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -90.79 140.7 29.55 Favored 'General case' 0 C--O 1.251 1.164 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.408 171.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.654 HG22 HD13 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -139.02 150.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 122.251 1.024 . . . . 0.0 111.659 -172.782 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.469 ' N ' HG13 ' A' ' 17' ' ' ILE . 51.0 p-10 -98.76 147.0 25.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.926 1.346 . . . . 0.0 111.359 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.869 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 5.6 mt -108.51 106.74 16.97 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.04 -158.11 0.12 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.914 0.864 . . . . 0.0 110.901 -171.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.956 HG13 ' HD2' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -164.75 161.88 15.07 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 121.678 0.751 . . . . 0.0 110.809 -172.339 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.956 ' HD2' HG13 ' A' ' 21' ' ' ILE . 30.9 Cg_exo -45.18 174.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.455 1 C-N-CA 126.526 4.818 . . . . 0.0 115.167 177.662 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -90.15 32.03 0.95 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.789 -174.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.667 ' CD1' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -131.73 149.26 52.54 Favored 'General case' 0 C--O 1.245 0.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.54 173.251 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.32 149.3 48.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.212 1.006 . . . . 0.0 111.143 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.686 ' HB3' HG21 ' A' ' 30' ' ' ILE . 4.6 ptt? -51.3 154.52 1.68 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.973 0.892 . . . . 0.0 110.912 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.03 -89.12 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.608 1.194 . . . . 0.0 111.041 -173.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.96 -58.35 5.73 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.057 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -154.68 49.57 0.6 Allowed 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.982 -1.074 . . . . 0.0 113.045 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -89.88 142.42 12.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 O-C-N 120.791 -1.193 . . . . 0.0 110.144 171.617 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.43 -41.82 1.21 Allowed 'General case' 0 C--O 1.261 1.68 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -171.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -123.35 150.11 44.06 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.204 -1.56 . . . . 0.0 112.13 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.942 ' HA ' HG23 ' A' ' 85' ' ' ILE . 1.4 mp -144.92 110.98 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.771 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -113.71 146.06 40.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.558 1.17 . . . . 0.0 111.338 -173.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.869 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 40.6 m95 -138.69 124.18 19.48 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.688 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.21 165.9 12.64 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.811 -0.556 . . . . 0.0 110.948 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.638 ' HB3' HD13 ' A' ' 44' ' ' ILE . 4.1 ptmt -104.91 89.28 3.11 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.246 1.022 . . . . 0.0 108.857 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.516 ' OG1' HG22 ' A' ' 80' ' ' ILE . 3.1 p -47.06 -22.98 0.41 Allowed 'General case' 0 C--O 1.255 1.373 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -169.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -48.29 -69.15 0.13 Allowed 'General case' 0 C--O 1.244 0.8 0 O-C-N 120.927 -1.108 . . . . 0.0 111.025 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.64 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -101.57 16.96 24.07 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.724 -0.61 . . . . 0.0 112.002 172.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 14.0 pttt 46.36 57.14 5.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.815 1.293 . . . . 0.0 110.47 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.64 ' HB2' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -127.42 120.08 27.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 123.147 1.451 . . . . 0.0 112.83 -173.296 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.72 151.07 0.21 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 122.902 1.334 . . . . 0.0 112.321 -174.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.638 HD13 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -141.31 -43.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 122.396 1.093 . . . . 0.0 110.794 -179.046 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.614 ' HB3' HD13 ' A' ' 68' ' ' LEU . . . -140.74 145.54 36.56 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.472 174.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.14 147.27 12.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.971 1.367 . . . . 0.0 112.87 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.472 ' HD2' ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -120.43 123.08 42.15 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.323 172.373 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -145.2 83.83 1.69 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.328 0.585 . . . . 0.0 110.792 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.81 159.39 0.09 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.363 1.554 . . . . 0.0 110.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.48 37.02 0.67 Allowed 'General case' 0 C--O 1.249 1.044 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.364 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -119.44 -7.85 10.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.574 1.178 . . . . 0.0 114.119 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -179.88 110.09 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.944 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.64 -177.07 3.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.01 0.909 . . . . 0.0 111.058 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -137.33 110.4 7.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.062 0.934 . . . . 0.0 111.233 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -164.87 76.84 0.3 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.777 0.799 . . . . 0.0 110.816 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 57' ' ' LYS . 8.5 pt-20 -84.81 -22.56 29.48 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.789 -0.569 . . . . 0.0 112.396 -172.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 34.2 mtmt -149.93 172.34 15.34 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.792 -1.193 . . . . 0.0 111.494 -173.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.73 -23.66 18.84 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.475 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 94.8 m -45.89 -26.46 0.69 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.853 0.835 . . . . 0.0 110.245 173.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.976 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 35.4 m-85 -147.81 110.25 4.64 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.933 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -135.47 144.9 46.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.114 1.435 . . . . 0.0 113.47 -175.288 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -83.64 154.16 23.87 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.866 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.953 ' CD2' HG22 ' A' ' 67' ' ' THR . 93.2 m-85 -127.43 173.41 9.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.158 -0.964 . . . . 0.0 111.047 173.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -68.24 -54.38 18.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.983 0.897 . . . . 0.0 111.007 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -60.88 -14.5 22.57 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.05 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' HA2' HG21 ' A' ' 33' ' ' ILE . . . 99.86 27.54 7.85 Favored Glycine 0 C--O 1.248 1.02 0 O-C-N 121.047 -1.033 . . . . 0.0 111.874 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.953 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.51 167.51 12.53 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.074 -1.251 . . . . 0.0 110.751 172.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.699 HD23 HD12 ' A' ' 19' ' ' LEU . 13.4 tp -135.69 111.58 9.48 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.387 -0.821 . . . . 0.0 111.487 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.934 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -82.52 159.15 22.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.86 0.838 . . . . 0.0 110.714 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.757 HD11 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mt -135.27 117.56 21.76 Favored 'Isoleucine or valine' 0 C--O 1.259 1.594 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.106 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 59' ' ' THR . 7.8 tptm -91.17 136.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.26 101.38 0.01 OUTLIER 'General case' 0 C--O 1.252 1.234 0 C-N-CA 124.432 1.093 . . . . 0.0 113.02 172.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.108 HD21 HD11 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -134.85 -178.57 5.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.479 1.133 . . . . 0.0 111.496 -173.625 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.999 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.5 mttt -151.05 -142.75 0.12 Allowed 'General case' 0 C--O 1.245 0.827 0 C-N-CA 125.123 1.369 . . . . 0.0 109.688 170.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -75.08 -23.19 57.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 123.142 1.448 . . . . 0.0 110.823 165.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.09 -34.55 56.86 Favored 'General case' 0 C--O 1.271 2.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 113.413 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 1.049 ' CB ' ' HB2' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -70.17 -6.07 31.7 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 121.152 1.797 . . . . 0.0 110.279 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.435 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -58.87 132.91 55.36 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.718 1.247 . . . . 0.0 110.916 171.606 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.4 m-20 -151.26 179.33 8.41 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 122.568 1.175 . . . . 0.0 110.672 172.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.53 HG23 ' OD1' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -104.44 145.24 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 122.034 0.921 . . . . 0.0 110.189 173.193 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.976 ' HE2' ' CE1' ' A' ' 60' ' ' TYR . 6.7 m-85 -144.54 163.41 33.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.739 0.781 . . . . 0.0 110.377 -172.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.835 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -160.37 133.79 6.84 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.21 0.529 . . . . 0.0 110.285 172.711 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.926 HG12 ' CE1' ' A' ' 98' ' ' PHE . 7.8 p -102.9 121.49 54.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 122.236 1.017 . . . . 0.0 110.815 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -119.3 107.58 13.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.652 0.739 . . . . 0.0 110.269 174.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.942 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -116.81 119.52 62.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.974 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.378 -171.632 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.56 ' HD2' ' N ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -115.66 158.28 22.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 112.436 -169.597 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -76.4 -173.05 2.34 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 122.052 0.93 . . . . 0.0 111.104 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -26.7 65.65 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 121.603 -0.686 . . . . 0.0 111.895 -178.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -90.34 19.22 5.33 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.098 -1.001 . . . . 0.0 112.48 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.76 13.03 60.62 Favored Glycine 0 C--O 1.249 1.048 0 O-C-N 120.938 -1.101 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 120.13 31.09 Favored 'General case' 0 C--O 1.245 0.82 0 O-C-N 121.093 -1.239 . . . . 0.0 111.427 -174.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.56 ' N ' ' HD2' ' A' ' 86' ' ' TYR . 13.0 p-10 -58.48 94.07 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.81 1.291 . . . . 0.0 110.695 173.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 85' ' ' ILE . 13.1 m -77.47 -26.87 15.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 122.425 1.107 . . . . 0.0 111.993 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 22' ' ' PRO . 53.9 tp -164.97 155.24 13.78 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.394 1.092 . . . . 0.0 110.852 173.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.84 159.33 40.47 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.598 -173.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.835 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -172.69 156.25 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.004 0.907 . . . . 0.0 110.897 -177.689 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.44 152.68 7.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.781 1.277 . . . . 0.0 111.645 -172.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 1.071 ' CE2' HD12 ' A' ' 7' ' ' LEU . 45.6 m-85 -135.63 166.83 22.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.343 1.068 . . . . 0.0 111.674 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 80' ' ' ILE . 1.9 m-20 -155.81 95.24 1.63 Allowed 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.673 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.751 ' CD1' HD21 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.75 146.55 7.83 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.945 0.878 . . . . 0.0 111.269 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -144.9 -177.71 5.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 123.55 1.643 . . . . 0.0 111.012 173.658 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 1.108 HD11 HD21 ' A' ' 73' ' ' LEU . 3.2 mt -151.45 160.12 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.828 170.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -137.83 140.31 40.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.001 0.905 . . . . 0.0 110.31 -172.315 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -159.42 84.41 0.77 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 124.056 1.884 . . . . 0.0 110.525 -172.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.269 2.121 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.286 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.522 ' H83' ' O2 ' ' A' ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MAN . . . . . 0.522 ' O2 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt . . . . . 0 C--O 1.239 0.551 0 CA-C-O 121.939 0.876 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -77.34 165.99 23.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.842 0.83 . . . . 0.0 110.761 174.013 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' N ' ' HG3' ' A' ' 2' ' ' GLU . 2.7 tp -124.05 151.37 29.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.011 0.91 . . . . 0.0 111.161 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.5 p -121.41 175.37 6.2 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.406 1.098 . . . . 0.0 110.82 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -129.79 43.33 3.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.974 1.368 . . . . 0.0 110.362 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 172.08 7.05 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.413 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 4.5 tp -123.76 107.19 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.868 0.842 . . . . 0.0 110.943 -173.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -66.43 94.51 0.28 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.782 0.801 . . . . 0.0 110.913 174.26 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -90.95 172.82 8.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 110.483 173.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.485 ' CH2' ' HD3' ' A' ' 101' ' ' LYS . 93.3 m95 -160.59 148.77 16.33 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.808 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.591 ' HA3' HD12 ' A' ' 73' ' ' LEU . . . -159.97 116.52 0.72 Allowed Glycine 0 C--O 1.241 0.565 0 O-C-N 121.252 -0.905 . . . . 0.0 112.346 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.852 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -61.96 144.94 54.32 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.621 -0.929 . . . . 0.0 110.581 173.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.745 HD12 ' CG2' ' A' ' 102' ' ' ILE . 4.2 mp -57.91 134.04 55.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.601 1.191 . . . . 0.0 111.025 -173.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.69 31.55 44.39 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.216 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.852 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.1 tm0? -116.32 159.19 22.27 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.086 -1.244 . . . . 0.0 110.456 -173.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.24 131.07 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.406 1.098 . . . . 0.0 109.948 173.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -135.77 177.93 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 123.1 1.429 . . . . 0.0 112.604 -170.755 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.64 ' O ' HD22 ' A' ' 19' ' ' LEU . 19.1 m-20 -117.73 177.88 4.6 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 123.343 1.544 . . . . 0.0 111.835 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.109 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 2.2 mm? -135.2 101.07 4.73 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 124.302 1.041 . . . . 0.0 109.268 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -94.57 110.22 22.05 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 123.313 1.53 . . . . 0.0 113.663 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.019 HD12 ' HD2' ' A' ' 22' ' ' PRO . 5.7 tp -72.87 154.77 90.99 Favored Pre-proline 0 C--O 1.246 0.902 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.121 170.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 1.019 ' HD2' HD12 ' A' ' 21' ' ' ILE . 10.0 Cg_endo -46.13 179.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.468 1 C-N-CA 127.241 5.294 . . . . 0.0 114.722 174.77 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.54 30.67 0.99 Allowed 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.838 -1.073 . . . . 0.0 112.224 -175.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -114.75 123.31 48.91 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 121.487 -0.758 . . . . 0.0 110.005 172.326 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.7 173.39 11.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.951 1.358 . . . . 0.0 112.113 -172.494 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.432 ' HA ' HG13 ' A' ' 30' ' ' ILE . 17.1 ptt? -66.53 174.69 2.65 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.887 -1.052 . . . . 0.0 111.221 -174.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -176.89 -61.14 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.962 1.363 . . . . 0.0 110.986 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -94.58 0.02 OUTLIER 'General case' 0 C--O 1.248 0.991 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.06 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.78 ' O ' HG23 ' A' ' 88' ' ' THR . 25.2 m-20 -122.37 27.83 7.72 Favored 'General case' 0 C--O 1.249 1.042 0 O-C-N 121.434 -0.791 . . . . 0.0 111.922 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.752 HD13 ' HB3' ' A' ' 87' ' ' ASP . 5.1 mm -71.95 122.32 24.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 O-C-N 121.213 -0.929 . . . . 0.0 110.252 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.69 -31.63 3.94 Favored 'General case' 0 C--O 1.257 1.481 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -171.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.44 142.1 32.37 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 120.756 -1.215 . . . . 0.0 111.311 -172.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.935 ' HA ' HG23 ' A' ' 85' ' ' ILE . 5.7 mt -148.85 104.25 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.876 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HG3' ' CD ' ' A' ' 46' ' ' GLN . 21.5 tttt -114.64 152.27 32.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.594 1.664 . . . . 0.0 111.999 -173.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 1.109 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.8 m95 -144.17 126.0 15.24 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.296 173.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -132.8 168.52 18.21 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.401 -0.812 . . . . 0.0 111.192 -171.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' NZ ' HG22 ' A' ' 44' ' ' ILE . 2.3 mtmm -83.22 117.66 23.09 Favored 'General case' 0 C--O 1.249 1.074 0 O-C-N 121.336 -0.853 . . . . 0.0 109.022 171.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 82' ' ' LYS . 74.6 p -54.13 -44.79 71.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.989 0.9 . . . . 0.0 111.283 -170.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -61.19 -84.28 0.01 OUTLIER 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.754 0.788 . . . . 0.0 111.383 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.822 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.34 13.61 3.47 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 121.736 -0.602 . . . . 0.0 112.606 -174.029 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.822 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER 51.79 62.89 2.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.035 1.398 . . . . 0.0 110.186 173.451 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.0 tttt -119.38 102.39 8.64 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.199 1.475 . . . . 0.0 112.219 -173.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.796 ' HD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -44.8 130.38 7.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.998 1.38 . . . . 0.0 111.875 176.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.806 HD12 ' CD1' ' A' ' 60' ' ' TYR . 17.4 pt -127.3 -43.07 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 122.367 1.079 . . . . 0.0 110.828 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.871 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -139.65 127.24 21.7 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.311 175.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.766 ' HB3' ' HD3' ' A' ' 43' ' ' LYS . 4.3 tt0 -160.03 147.6 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.415 1.579 . . . . 0.0 113.218 -173.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.759 ' CD1' HG22 ' A' ' 53' ' ' THR . 1.9 m-30 -124.85 122.04 36.27 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 172.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HG2' ' HG2' ' A' ' 46' ' ' GLN . 4.7 ptm180 -158.07 113.22 2.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.812 0.815 . . . . 0.0 111.104 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.8 145.14 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.765 0.793 . . . . 0.0 110.61 -173.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.26 32.43 0.94 Allowed 'General case' 0 C--O 1.248 0.986 0 O-C-N 121.743 -0.598 . . . . 0.0 111.915 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -106.28 -7.84 17.59 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -176.77 135.82 0.23 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.944 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.759 HG22 ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -117.07 158.17 24.63 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.779 0.8 . . . . 0.0 110.926 178.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CD2' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -121.03 97.42 5.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.94 0.876 . . . . 0.0 111.145 177.236 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -162.86 56.25 0.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.195 0.998 . . . . 0.0 110.652 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.79 -31.29 62.49 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.545 -173.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.745 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER -151.55 157.28 42.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.064 0.935 . . . . 0.0 111.176 -174.257 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 4.7 m-20 -72.6 -4.76 32.76 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 176.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.745 HG22 ' HB3' ' A' ' 57' ' ' LYS . 10.3 t -60.68 -25.83 66.66 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.089 -1.007 . . . . 0.0 110.783 174.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.806 ' CD1' HD12 ' A' ' 44' ' ' ILE . 49.6 m-85 -150.07 80.77 1.37 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.634 0.731 . . . . 0.0 110.55 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -107.28 169.45 8.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.388 1.089 . . . . 0.0 112.74 -172.302 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.871 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -111.65 163.32 14.24 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 174.007 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.639 ' CD2' HG22 ' A' ' 67' ' ' THR . 13.3 m-30 -125.59 169.87 12.04 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 121.36 -0.837 . . . . 0.0 111.03 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -63.5 -28.81 70.21 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.379 -0.826 . . . . 0.0 111.612 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -96.84 11.54 35.41 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 121.405 -0.809 . . . . 0.0 112.341 -173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.37 6.95 73.43 Favored Glycine 0 C--O 1.253 1.322 0 O-C-N 120.799 -1.188 . . . . 0.0 112.891 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -88.03 149.18 24.14 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 119.049 1.424 . . . . 0.0 111.218 177.45 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -109.2 148.85 30.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 110.509 172.331 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.45 134.07 55.27 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.554 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.595 HD12 HD11 ' A' ' 17' ' ' ILE . 1.8 mt -121.06 107.31 20.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.081 0.943 . . . . 0.0 110.606 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -82.42 142.46 31.93 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.407 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t60 61.25 110.23 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 123.279 1.514 . . . . 0.0 110.691 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.984 HD21 ' CD1' ' A' ' 100' ' ' LEU . 2.4 tm? -136.31 69.64 1.42 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.062 0.934 . . . . 0.0 112.711 -170.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.634 ' CE ' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -94.34 -171.66 2.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.153 0.978 . . . . 0.0 110.473 170.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.1 m -51.68 -26.87 10.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.28 1.038 . . . . 0.0 111.602 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.634 ' HB3' ' CE ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -76.26 -40.28 52.27 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.632 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.01 14.34 14.22 Favored 'General case' 0 C--O 1.253 1.24 0 O-C-N 121.31 -0.869 . . . . 0.0 112.129 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.825 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.38 126.31 34.79 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 120.822 -1.174 . . . . 0.0 111.245 173.462 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -157.6 160.53 38.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.841 -176.494 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.459 HG22 HG21 ' A' ' 38' ' ' THR . 22.8 mt -86.07 148.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.379 0.609 . . . . 0.0 110.063 173.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.656 ' HE1' ' HB3' ' A' ' 100' ' ' LEU . 96.8 m-85 -140.83 156.01 46.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.847 0.832 . . . . 0.0 111.349 -170.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.787 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 6.2 tttt -146.61 132.55 19.14 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.918 0.866 . . . . 0.0 110.666 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' A' ' 98' ' ' PHE . 4.6 p -104.1 119.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.16 0.981 . . . . 0.0 110.967 -173.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.496 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -124.23 109.89 13.97 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.868 0.842 . . . . 0.0 110.324 178.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.935 HG23 ' HA ' ' A' ' 33' ' ' ILE . 1.5 mt -120.33 118.62 57.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.341 0 O-C-N 121.925 -0.485 . . . . 0.0 110.129 -172.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.667 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 2.6 m-85 -114.88 168.81 9.58 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 120.512 -1.367 . . . . 0.0 112.524 -168.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.752 ' HB3' HD13 ' A' ' 30' ' ' ILE . 10.6 p30 -94.16 -174.61 3.43 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.192 0.996 . . . . 0.0 110.99 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 29' ' ' ASP . 74.8 p -57.87 -26.2 61.77 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 121.431 -0.793 . . . . 0.0 112.149 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -98.23 30.7 3.03 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.034 -1.041 . . . . 0.0 112.121 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.7 49.37 Favored Glycine 0 C--O 1.248 0.981 0 O-C-N 121.241 -0.912 . . . . 0.0 111.999 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 1.1 mtpt -90.33 126.87 36.01 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.16 -1.2 . . . . 0.0 111.48 -173.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.667 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 1.4 t30 -67.5 92.82 0.32 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.111 0.958 . . . . 0.0 110.839 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.722 HG21 HD12 ' A' ' 30' ' ' ILE . 15.1 m -78.18 -27.95 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.368 1.08 . . . . 0.0 112.352 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.614 HD21 ' HG2' ' A' ' 22' ' ' PRO . 28.3 tp -151.94 151.53 31.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.232 1.015 . . . . 0.0 110.999 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.546 ' H ' HD12 ' A' ' 94' ' ' LEU . 4.5 tm-20 -154.58 158.68 40.14 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.708 -174.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.787 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -166.48 160.35 15.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.044 0.926 . . . . 0.0 111.393 -178.665 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.405 ' O ' ' HD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -119.81 134.83 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.933 0.873 . . . . 0.0 110.808 -177.582 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.739 ' HD2' ' CZ3' ' A' ' 35' ' ' TRP . 21.7 m-30 -135.63 160.86 37.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.814 -172.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 9' ' ' THR . 4.5 m-20 -146.28 86.55 1.7 Allowed 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.318 -0.864 . . . . 0.0 111.878 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.984 ' CD1' HD21 ' A' ' 73' ' ' LEU . 1.5 tm? -61.17 108.19 0.86 Allowed 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.529 0.68 . . . . 0.0 110.793 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 99' ' ' ASP . 1.8 mtpm? -104.68 172.07 6.99 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 123.356 1.551 . . . . 0.0 112.12 -174.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.84 ' CD1' HD13 ' A' ' 73' ' ' LEU . 1.2 mm -128.83 151.51 35.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.019 171.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -141.64 147.07 36.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.937 0.875 . . . . 0.0 111.229 -172.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -146.36 52.98 1.12 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 124.758 2.218 . . . . 0.0 110.282 -176.621 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 . . . . . 0 C--O 1.269 2.118 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.193 175.873 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.419 ' O7 ' ' C3 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MAN . . . . . 0.47 ' H4 ' ' C5 ' ' A' ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MAN . . . . . 0.47 ' C5 ' ' H4 ' ' A' ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 121.969 0.89 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -111.03 151.6 27.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.944 0.878 . . . . 0.0 110.978 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 mt -108.07 148.26 12.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.901 0.858 . . . . 0.0 110.981 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 p -132.33 153.26 50.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.006 0.908 . . . . 0.0 110.952 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.32 48.6 0.9 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.955 0.883 . . . . 0.0 111.065 -175.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.97 169.9 16.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.062 0.934 . . . . 0.0 110.985 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.801 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 14.9 mt -125.46 112.96 16.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.31 1.052 . . . . 0.0 110.994 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.97 102.0 0.32 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.846 0.831 . . . . 0.0 111.019 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 1.035 HG21 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.91 122.29 45.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.516 0.674 . . . . 0.0 110.523 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.51 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 86.2 m95 -118.82 157.72 27.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.924 0.869 . . . . 0.0 112.174 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.2 -171.07 25.62 Favored Glycine 0 C--O 1.24 0.491 0 CA-C-O 122.299 0.944 . . . . 0.0 111.741 173.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.843 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -135.91 153.34 51.48 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 121.732 -0.864 . . . . 0.0 110.712 173.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.618 ' CD1' HG21 ' A' ' 102' ' ' ILE . 5.8 mp -62.1 135.72 57.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.124 1.44 . . . . 0.0 112.676 -171.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.19 43.23 Favored Glycine 0 C--O 1.238 0.364 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.843 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 15.1 tt0 -138.21 146.02 42.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.622 1.201 . . . . 0.0 112.088 -171.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -97.39 135.74 38.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.677 -175.726 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.463 HG12 ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -128.48 157.53 40.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.991 0.9 . . . . 0.0 111.336 -172.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -110.44 146.42 35.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.92 1.343 . . . . 0.0 111.703 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.035 ' CD1' HG21 ' A' ' 9' ' ' THR . 0.2 OUTLIER -100.1 96.96 7.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.434 172.598 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.93 117.96 31.62 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 123.609 1.671 . . . . 0.0 111.692 -169.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.994 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.84 154.05 92.9 Favored Pre-proline 0 C--O 1.239 0.541 0 CA-C-O 122.483 1.135 . . . . 0.0 112.123 177.016 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.994 ' HD2' HG12 ' A' ' 21' ' ' ILE . 13.8 Cg_exo -43.39 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.375 1 C-N-CA 127.699 5.6 . . . . 0.0 116.807 174.384 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.07 29.22 0.84 Allowed 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.896 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.606 ' HD2' HD13 ' A' ' 94' ' ' LEU . 2.4 t80 -116.27 123.43 47.69 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.625 -0.672 . . . . 0.0 110.083 171.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -135.32 144.37 46.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.42 1.105 . . . . 0.0 111.773 -172.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.472 ' CE ' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -86.51 166.34 15.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.998 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -124.77 -113.9 0.29 Allowed 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.325 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -90.11 23.34 2.87 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.855 -1.153 . . . . 0.0 111.861 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -108.13 -78.4 0.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.942 1.354 . . . . 0.0 110.939 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.75 HG23 ' O ' ' A' ' 86' ' ' TYR . 1.3 mp -49.08 144.01 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.705 -174.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.5 -31.7 3.22 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.381 -173.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.83 142.95 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.098 . . . . 0.0 111.224 -172.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.042 HG23 HD12 ' A' ' 85' ' ' ILE . 29.3 mt -139.78 104.1 1.88 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.882 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.022 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -110.83 153.77 24.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.236 1.493 . . . . 0.0 112.244 -173.01 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.946 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 49.7 m95 -155.24 131.4 10.21 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.423 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.799 ' C ' HD12 ' A' ' 44' ' ' ILE . 16.8 tt0 -124.5 170.71 10.62 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 111.088 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.929 ' HB3' HD11 ' A' ' 44' ' ' ILE . 14.3 ptmt -105.38 85.09 2.19 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.562 ' OG1' HG22 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -38.4 -37.21 0.28 Allowed 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.069 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 t -49.58 -68.4 0.18 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.991 -1.068 . . . . 0.0 111.412 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -92.79 3.49 55.55 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.659 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 7.8 ttmt 54.26 62.11 2.73 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.627 -1.295 . . . . 0.0 110.405 -177.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.705 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -129.83 121.53 26.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 123.545 1.64 . . . . 0.0 113.879 -172.468 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -42.62 97.29 0.01 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.919 1.342 . . . . 0.0 111.547 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.929 HD11 ' HB3' ' A' ' 37' ' ' LYS . 5.1 mt -82.62 -41.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 123.053 1.406 . . . . 0.0 110.899 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.736 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -171.27 134.38 0.9 Allowed 'General case' 0 C--O 1.253 1.248 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.358 -172.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.543 ' N ' HD21 ' A' ' 62' ' ' LEU . 7.3 tt0 -159.77 142.49 13.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.742 1.258 . . . . 0.0 112.29 -173.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 114.33 17.92 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.709 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.78 101.59 3.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.858 0.837 . . . . 0.0 111.116 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.46 147.38 0.06 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.071 0.939 . . . . 0.0 110.724 -176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.2 34.43 0.87 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.783 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.87 -7.39 13.76 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 172.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 171.72 129.34 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.723 178.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 p -147.5 174.28 11.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.046 0.927 . . . . 0.0 111.079 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -123.13 109.66 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.874 0.845 . . . . 0.0 111.016 -177.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.68 40.87 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.647 0.737 . . . . 0.0 110.919 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.84 24.4 2.06 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.782 -0.574 . . . . 0.0 112.345 -172.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.24 151.72 5.8 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 120.933 -1.105 . . . . 0.0 111.591 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.39 -15.67 39.66 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 174.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.0 m -50.6 -20.68 1.26 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.951 -0.468 . . . . 0.0 110.204 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.847 ' HD1' ' CG2' ' A' ' 70' ' ' ILE . 40.7 m-85 -150.5 85.22 1.37 Allowed 'General case' 0 C--O 1.245 0.822 0 CA-C-O 121.262 0.553 . . . . 0.0 109.787 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -93.17 168.74 10.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.277 1.037 . . . . 0.0 113.408 -170.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.95 ' CD1' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -122.3 143.75 49.42 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.812 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.597 ' HE2' ' HB2' ' A' ' 69' ' ' LYS . 96.8 m-85 -125.37 154.82 41.28 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.356 -0.84 . . . . 0.0 110.817 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -13.35 62.32 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 121.622 -0.674 . . . . 0.0 111.839 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -96.73 26.72 4.33 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.057 -1.027 . . . . 0.0 111.96 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' HA3' HG21 ' A' ' 21' ' ' ILE . . . 77.07 7.02 86.63 Favored Glycine 0 C--O 1.254 1.395 0 O-C-N 121.091 -1.006 . . . . 0.0 113.267 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.449 HG22 ' CD2' ' A' ' 63' ' ' PHE . 3.3 m -88.76 161.53 16.73 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-N 119.133 1.466 . . . . 0.0 111.057 -176.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -138.23 114.67 10.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.5 1.143 . . . . 0.0 112.076 173.546 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.597 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 2.5 tttm -96.83 102.98 14.86 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.279 -0.888 . . . . 0.0 111.354 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -108.72 115.17 48.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 123.641 1.686 . . . . 0.0 110.654 -171.328 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -76.32 148.97 37.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.008 -171.217 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.8 t60 61.06 105.9 0.02 OUTLIER 'General case' 0 C--O 1.242 0.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.016 173.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.875 ' CD1' HD23 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -145.41 101.05 3.54 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -174.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.48 -171.21 1.79 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 126.818 2.047 . . . . 0.0 110.286 166.229 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.465 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.9 m -46.6 -29.95 2.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.345 1.069 . . . . 0.0 112.409 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -86.74 -33.12 20.08 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.149 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.78 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -99.55 23.03 9.98 Favored 'General case' 0 C--O 1.249 1.046 0 O-C-N 121.978 -0.451 . . . . 0.0 111.607 173.788 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.556 ' HB2' HD11 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -104.65 125.8 51.11 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.086 -1.009 . . . . 0.0 110.713 172.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -145.46 172.08 13.72 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.229 1.014 . . . . 0.0 111.59 -173.345 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.562 HG22 ' OG1' ' A' ' 38' ' ' THR . 4.1 mt -91.84 148.6 4.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.201 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.818 ' CD2' HD13 ' A' ' 44' ' ' ILE . 17.0 m-85 -143.92 163.22 34.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.898 0.856 . . . . 0.0 111.08 -171.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 8.5 ttpp -154.52 143.95 21.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.844 0.83 . . . . 0.0 110.663 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.94 HG12 ' HE1' ' A' ' 98' ' ' PHE . 7.3 p -114.95 123.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.279 1.037 . . . . 0.0 111.29 -173.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.413 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 85.5 p -125.55 103.72 8.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.83 0.824 . . . . 0.0 110.572 174.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.042 HD12 HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -112.66 116.25 52.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -173.283 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 30' ' ' ILE . 10.9 m-30 -107.05 164.11 12.42 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.588 1.185 . . . . 0.0 112.675 -169.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.83 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 15.6 p-10 -96.5 -173.89 2.89 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.738 1.256 . . . . 0.0 111.116 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.9 p -64.35 -30.28 71.33 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.868 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -83.24 8.61 12.82 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.213 -0.929 . . . . 0.0 112.394 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.25 19.47 79.81 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.797 -1.189 . . . . 0.0 112.54 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.83 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 2.7 mtpt -90.43 151.39 21.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.061 -1.258 . . . . 0.0 111.395 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 7.6 m-20 -89.05 93.43 9.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.957 0.884 . . . . 0.0 110.707 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 85' ' ' ILE . 2.6 m -80.19 -20.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.606 HD13 ' HD2' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -162.53 145.49 11.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.155 0.979 . . . . 0.0 111.247 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -148.06 141.87 25.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.857 0.837 . . . . 0.0 110.91 -178.2 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -153.38 159.82 42.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.898 0.856 . . . . 0.0 111.031 -174.006 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.06 137.81 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.877 0.846 . . . . 0.0 110.869 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.94 ' HE1' HG12 ' A' ' 83' ' ' VAL . 19.8 m-85 -131.56 170.27 14.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.755 0.788 . . . . 0.0 111.142 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -158.8 100.49 1.6 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.217 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 70' ' ' ILE . 2.5 mp -54.43 145.88 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.377 -0.827 . . . . 0.0 110.746 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.43 163.97 29.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.464 1.126 . . . . 0.0 111.55 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.618 HG21 ' CD1' ' A' ' 13' ' ' LEU . 28.7 mm -115.43 144.22 23.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.84 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.51 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 7.7 tp60 -136.55 145.25 44.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.018 0.913 . . . . 0.0 111.453 -171.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' HG2' ' C ' ' A' ' 103' ' ' GLN . 1.9 pt-20 -176.12 93.24 0.05 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.92 1.343 . . . . 0.0 110.976 -174.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.27 2.157 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.868 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' NAG . . . . . 0.469 ' H61' ' C7 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.469 ' C7 ' ' H61' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 121.992 0.901 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.78 170.65 16.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.942 0.877 . . . . 0.0 111.014 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.73 110.89 28.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.974 0.892 . . . . 0.0 110.958 177.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.8 p -150.41 150.29 31.17 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.562 0.696 . . . . 0.0 110.859 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.879 ' HB3' HD12 ' A' ' 97' ' ' ILE . 1.2 m120 -159.02 53.59 0.4 Allowed 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.58 0.705 . . . . 0.0 111.634 -178.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 5' ' ' ASN . . . 179.95 175.31 0.81 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.071 1.415 . . . . 0.0 111.77 173.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.052 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 5.7 mt -140.52 119.75 12.93 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.694 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 91.11 0.08 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.972 0.891 . . . . 0.0 110.881 -176.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.7 135.89 53.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.527 0.68 . . . . 0.0 110.596 -174.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 93.0 m95 -140.64 159.3 42.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.976 0.893 . . . . 0.0 111.508 -172.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.41 170.31 36.38 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.817 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -100.16 158.46 15.84 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 121.957 -0.731 . . . . 0.0 110.458 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.055 HD12 HG21 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -68.88 132.13 46.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.802 1.286 . . . . 0.0 110.973 -173.316 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.07 35.3 34.97 Favored Glycine 0 C--O 1.249 1.083 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.016 -176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.817 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -128.91 152.03 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.239 -1.154 . . . . 0.0 110.842 -172.108 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.538 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -101.46 135.35 43.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.388 1.09 . . . . 0.0 110.636 176.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.612 ' CG2' HD21 ' A' ' 100' ' ' LEU . 8.2 tp -140.82 157.56 23.35 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.761 ' O ' HD12 ' A' ' 19' ' ' LEU . 32.5 m120 -108.03 171.86 7.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.222 1.487 . . . . 0.0 111.949 -173.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.13 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 6.5 mp -127.02 117.12 21.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.302 1.048 . . . . 0.0 110.1 175.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.8 114.3 21.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.815 0.817 . . . . 0.0 109.67 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.038 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -96.24 -76.82 0.03 OUTLIER Pre-proline 0 C--O 1.259 1.56 0 N-CA-C 114.195 1.184 . . . . 0.0 114.195 -169.167 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 1.038 ' HD3' HG23 ' A' ' 21' ' ' ILE . 11.2 Cg_endo -87.43 157.82 8.01 Favored 'Trans proline' 0 N--CA 1.533 3.822 1 C-N-CA 126.762 4.975 . . . . 0.0 117.242 -172.427 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -92.15 23.92 3.57 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -115.39 155.53 27.22 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.412 -0.805 . . . . 0.0 110.62 -172.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.69 91.99 3.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.272 1.034 . . . . 0.0 110.838 176.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 30' ' ' ILE . 7.3 ptt? -60.39 171.74 1.01 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.919 0.866 . . . . 0.0 111.269 -173.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 t -146.18 -123.48 0.07 Allowed 'General case' 0 C--O 1.253 1.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.523 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.7 32.43 0.98 Allowed 'General case' 0 C--O 1.26 1.617 0 O-C-N 120.698 -1.251 . . . . 0.0 112.319 -171.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -115.36 -39.64 3.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.336 -1.478 . . . . 0.0 113.185 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.445 HD12 ' SD ' ' A' ' 26' ' ' MET . 0.2 OUTLIER -87.59 140.79 15.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.273 -173.031 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.47 -30.69 4.49 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.971 -173.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -126.16 155.42 41.76 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.361 1.077 . . . . 0.0 111.213 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.913 HG23 ' CG2' ' A' ' 85' ' ' ILE . 2.2 mt -137.29 160.92 35.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.801 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.665 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -156.24 147.72 22.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 123.248 1.499 . . . . 0.0 112.125 173.834 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 1.13 ' CZ3' HD23 ' A' ' 19' ' ' LEU . 30.0 m95 -139.85 112.22 7.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.132 173.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -94.62 153.42 17.85 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.471 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.608 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 17.4 tttt -98.37 86.78 3.7 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.789 -0.569 . . . . 0.0 110.073 -176.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.638 ' OG1' HG22 ' A' ' 80' ' ' ILE . 23.5 p -66.45 95.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 123.904 1.811 . . . . 0.0 110.861 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 p 179.22 -57.11 0.01 OUTLIER 'General case' 0 C--O 1.237 0.441 0 CA-C-O 123.747 1.737 . . . . 0.0 109.96 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -6.52 19.45 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.269 169.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 60.78 69.72 0.66 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.603 1.192 . . . . 0.0 111.308 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.58 154.37 5.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 124.054 1.883 . . . . 0.0 112.1 172.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.581 ' HB2' ' HE2' ' A' ' 54' ' ' PHE . 8.6 mttt -44.69 146.58 0.73 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-O 123.552 1.644 . . . . 0.0 112.949 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.608 ' CG2' ' HB2' ' A' ' 37' ' ' LYS . 12.7 pt -135.32 -42.93 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.38 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.773 ' CB ' HD21 ' A' ' 62' ' ' LEU . . . -132.17 139.76 48.49 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.541 173.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.665 ' HG3' ' CG ' ' A' ' 34' ' ' LYS . 12.3 tt0 -165.6 150.37 8.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 123.029 1.395 . . . . 0.0 112.407 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 1.012 ' HD1' HD12 ' A' ' 62' ' ' LEU . 3.8 m-85 -126.85 129.56 48.5 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.562 173.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -147.95 102.68 3.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.421 -0.799 . . . . 0.0 111.081 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.1 mttm 63.5 152.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.613 1.673 . . . . 0.0 110.511 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -87.54 37.65 0.79 Allowed 'General case' 0 C--O 1.25 1.097 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.287 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.89 -7.86 13.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.664 1.221 . . . . 0.0 113.959 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.58 149.58 1.28 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.923 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 p -125.54 160.21 30.12 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.353 0.597 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.581 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 1.7 t80 -121.97 87.25 2.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.954 0.883 . . . . 0.0 111.69 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 107.33 0.82 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.245 1.498 . . . . 0.0 110.086 172.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.19 -31.91 62.85 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 121.262 -0.898 . . . . 0.0 111.292 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -159.83 164.67 33.46 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.33 0.586 . . . . 0.0 110.755 -177.114 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' HA ' ' HB3' ' A' ' 61' ' ' LYS . 2.8 m-20 -72.96 -6.93 48.61 Favored 'General case' 0 C--O 1.255 1.348 0 O-C-N 121.613 -0.68 . . . . 0.0 112.491 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.772 HG22 ' HG3' ' A' ' 57' ' ' LYS . 9.2 t -55.43 -26.78 43.88 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.365 -0.834 . . . . 0.0 110.315 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.683 ' CE1' HG23 ' A' ' 70' ' ' ILE . 5.0 m-85 -148.61 86.15 1.52 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.619 0.723 . . . . 0.0 111.058 173.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.9 ptmt -129.2 167.55 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.305 1.05 . . . . 0.0 112.212 -176.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.012 HD12 ' HD1' ' A' ' 47' ' ' PHE . 4.7 mt -104.39 175.25 5.55 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.672 0.789 . . . . 0.0 111.064 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 67' ' ' THR . 65.6 m-85 -130.64 174.98 9.4 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.913 -1.117 . . . . 0.0 111.391 174.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -23.17 64.17 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.693 -0.629 . . . . 0.0 111.75 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -102.12 20.58 16.4 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.175 -0.953 . . . . 0.0 112.019 -175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -7.15 82.3 Favored Glycine 0 C--O 1.253 1.338 0 O-C-N 120.919 -1.113 . . . . 0.0 113.273 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.677 HG22 ' CD2' ' A' ' 63' ' ' PHE . 5.1 m -83.47 153.59 24.37 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.708 -1.466 . . . . 0.0 111.366 -173.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.957 HD23 HD22 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -118.79 132.56 56.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.853 0.835 . . . . 0.0 110.658 172.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 ttpt -100.79 134.84 43.17 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.456 0.646 . . . . 0.0 110.834 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.683 HG23 ' CE1' ' A' ' 60' ' ' TYR . 2.0 mt -119.06 108.58 24.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.884 0.849 . . . . 0.0 110.864 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.1 mtpt -86.46 143.35 27.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.747 0.784 . . . . 0.0 111.121 -176.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 60.68 104.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 123.079 1.419 . . . . 0.0 111.159 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.732 ' CD1' HD11 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -138.98 83.4 1.95 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.221 1.01 . . . . 0.0 112.21 -173.039 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -97.26 -163.59 1.06 Allowed 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.274 170.62 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 m -57.6 -28.1 63.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.217 1.008 . . . . 0.0 112.349 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -41.73 14.05 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.532 ' O ' HD22 ' A' ' 73' ' ' LEU . 1.3 m-20 -79.89 -0.28 34.22 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.477 -0.765 . . . . 0.0 112.052 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -83.19 129.14 34.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 120.799 -1.188 . . . . 0.0 110.728 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 68.0 m-20 -149.9 178.74 8.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.438 1.113 . . . . 0.0 111.21 -173.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.638 HG22 ' OG1' ' A' ' 38' ' ' THR . 5.1 mt -103.02 145.91 11.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.547 172.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -139.07 172.91 12.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.759 1.266 . . . . 0.0 111.44 -171.325 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.509 ' HG2' ' N ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -156.47 151.1 25.76 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.616 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.945 HG11 ' HB ' ' A' ' 21' ' ' ILE . 6.9 p -124.28 120.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 122.124 0.964 . . . . 0.0 110.879 -174.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 p -129.54 113.78 15.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.706 0.765 . . . . 0.0 110.407 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.913 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.6 mt -123.82 126.15 72.22 Favored 'Isoleucine or valine' 0 C--O 1.257 1.493 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.932 -173.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.532 ' CD2' ' HA ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -121.24 163.26 18.83 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.472 -1.392 . . . . 0.0 112.468 -168.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.3 p30 -87.68 -173.54 4.37 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 122.294 1.045 . . . . 0.0 110.995 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -26.74 46.36 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.288 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -96.29 24.36 5.82 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.962 -1.086 . . . . 0.0 112.661 -172.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.31 52.96 Favored Glycine 0 C--O 1.248 1.021 0 O-C-N 121.085 -1.009 . . . . 0.0 112.149 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.493 ' O ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.53 121.1 32.18 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.119 -1.224 . . . . 0.0 111.511 -174.079 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 34.6 t-20 -63.3 91.12 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.038 0.923 . . . . 0.0 110.482 173.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 91' ' ' LYS . 3.8 m -80.26 -22.45 11.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.879 0.847 . . . . 0.0 112.754 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.935 HD21 ' HB3' ' A' ' 22' ' ' PRO . 2.5 tp -165.17 141.44 5.57 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.155 0.979 . . . . 0.0 110.702 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.052 0.93 . . . . 0.0 111.071 -172.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 168.24 1.56 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.494 0.664 . . . . 0.0 110.835 173.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.879 HD12 ' HB3' ' A' ' 5' ' ' ASN . 7.2 mt -121.02 151.86 24.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 CA-C-O 121.628 0.728 . . . . 0.0 111.058 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 1.052 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 11.7 m-85 -135.68 166.27 23.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.821 0.819 . . . . 0.0 111.762 -174.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.484 ' OD1' ' HB1' ' A' ' 6' ' ' ALA . 2.9 m-20 -149.61 87.32 1.5 Allowed 'General case' 0 C--O 1.247 0.966 0 O-C-N 121.908 -0.495 . . . . 0.0 110.933 173.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.717 ' CD1' HD21 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -63.8 130.51 44.45 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.371 -0.83 . . . . 0.0 110.799 -177.785 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.556 ' N ' HD13 ' A' ' 100' ' ' LEU . 7.9 mttt -128.95 169.73 14.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.079 1.419 . . . . 0.0 112.137 -173.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 1.055 HG21 HD12 ' A' ' 13' ' ' LEU . 1.5 mm -122.11 150.18 25.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.759 170.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.5 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 10.7 tt0 -145.07 142.06 29.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.025 0.917 . . . . 0.0 111.045 -172.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.97 86.21 0.54 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.673 1.225 . . . . 0.0 110.745 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.149 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.986 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' NAG . . . . . 0.582 ' H62' ' H82' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.582 ' H82' ' H62' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MAN . . . . . 0.571 ' O2 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.457 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.99 0.9 . . . . 0.0 110.96 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.4 133.68 49.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.788 0.804 . . . . 0.0 110.982 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.68 101.53 12.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.266 1.031 . . . . 0.0 111.039 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 p -112.31 176.09 5.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.379 1.085 . . . . 0.0 110.766 173.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.24 43.56 2.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.918 1.342 . . . . 0.0 110.77 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.71 172.08 19.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 123.381 1.562 . . . . 0.0 112.765 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.063 HD23 ' CD2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -117.93 111.37 18.9 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.773 -176.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.25 93.97 5.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.318 1.056 . . . . 0.0 110.654 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.773 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -101.21 148.8 24.68 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.447 -173.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -139.43 152.52 47.11 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.71 -0.619 . . . . 0.0 111.016 -173.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.42 -176.49 32.57 Favored Glycine 0 C--O 1.239 0.462 0 CA-C-O 122.805 1.225 . . . . 0.0 112.243 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' C ' HD13 ' A' ' 102' ' ' ILE . . . -110.88 163.3 13.94 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.676 -0.897 . . . . 0.0 110.57 172.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.877 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.5 mp -77.31 136.96 38.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.928 1.347 . . . . 0.0 111.962 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.93 43.29 Favored Glycine 0 C--O 1.245 0.79 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.544 -175.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.893 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -135.86 129.28 32.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.334 1.064 . . . . 0.0 110.943 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.461 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -78.72 134.73 37.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.261 1.029 . . . . 0.0 110.798 -172.289 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.582 HD13 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -131.02 144.41 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.045 0.926 . . . . 0.0 111.599 -172.235 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.843 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -97.19 -174.23 2.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.696 1.236 . . . . 0.0 111.587 -173.596 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.107 HD12 ' HD2' ' A' ' 98' ' ' PHE . 1.2 mm? -151.53 78.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.706 -173.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.29 101.87 14.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.604 1.193 . . . . 0.0 110.308 -176.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.014 HG23 ' CD ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -77.28 -80.71 0.04 OUTLIER Pre-proline 0 C--O 1.259 1.554 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.92 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 1.014 ' CD ' HG23 ' A' ' 21' ' ' ILE . 10.9 Cg_endo -90.74 161.01 4.18 Favored 'Trans proline' 0 N--CA 1.531 3.687 1 C-N-CA 126.979 5.119 . . . . 0.0 116.721 -172.553 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -92.07 23.75 3.61 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.712 169.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -94.16 176.21 6.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.335 1.064 . . . . 0.0 111.379 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -140.49 81.89 1.83 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.038 0.923 . . . . 0.0 110.84 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.26 156.62 3.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.0 0.905 . . . . 0.0 111.151 -173.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 t -141.65 -121.63 0.1 Allowed 'General case' 0 C--O 1.254 1.293 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.253 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -21.52 24.45 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 120.747 -1.221 . . . . 0.0 111.989 -173.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 88' ' ' THR . 3.7 m-20 -80.64 -26.9 37.41 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.0 -1.062 . . . . 0.0 113.184 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 93' ' ' VAL . 3.0 mm -88.56 136.99 22.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.982 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.855 -174.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -133.28 -40.77 0.9 Allowed 'General case' 0 C--O 1.258 1.508 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.641 ' C ' HD12 ' A' ' 33' ' ' ILE . 72.2 m-20 -107.71 138.2 44.37 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 120.481 -1.387 . . . . 0.0 112.35 -171.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.918 ' HA ' HG23 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -120.19 158.63 22.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.027 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 172.746 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -155.15 146.06 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.316 1.532 . . . . 0.0 112.253 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.899 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 54.4 m95 -146.47 126.2 13.45 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.342 173.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.88 165.66 21.58 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.549 -0.72 . . . . 0.0 110.968 -173.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -88.34 99.67 12.42 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.467 -0.771 . . . . 0.0 109.548 172.677 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 1.005 HG21 HG22 ' A' ' 80' ' ' ILE . 1.2 p -35.61 -50.75 0.62 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -62.68 -73.87 0.1 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.616 0.722 . . . . 0.0 112.077 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.76 18.89 4.35 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -172.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 51.3 63.37 2.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.165 1.46 . . . . 0.0 110.121 172.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.515 ' O ' HG23 ' A' ' 44' ' ' ILE . 4.8 ttmt -118.54 88.87 3.01 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 123.061 1.41 . . . . 0.0 111.813 -172.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.539 ' HB2' ' CD ' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -45.27 102.22 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 173.568 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -93.16 -39.5 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 122.181 0.991 . . . . 0.0 110.962 179.054 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.744 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -144.73 132.85 21.56 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.729 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.539 ' CD ' ' HB2' ' A' ' 43' ' ' LYS . 2.6 mt-30 -158.3 151.92 23.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.886 1.327 . . . . 0.0 112.217 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.487 ' CD1' HG22 ' A' ' 53' ' ' THR . 1.2 m-30 -130.38 108.13 9.76 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.681 173.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -129.96 101.67 5.95 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.609 -0.682 . . . . 0.0 111.121 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.41 153.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.563 1.649 . . . . 0.0 110.47 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.61 40.02 0.87 Allowed 'General case' 0 C--O 1.25 1.093 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.347 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -116.45 -6.99 11.72 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.496 1.141 . . . . 0.0 114.028 172.572 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 6.6 tt0 176.99 119.43 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.989 -176.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.487 HG22 ' CD1' ' A' ' 47' ' ' PHE . 3.3 p -108.72 174.39 5.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.725 0.774 . . . . 0.0 111.001 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HE2' ' O ' ' A' ' 43' ' ' LYS . 3.7 t80 -135.95 99.78 4.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.962 0.887 . . . . 0.0 111.38 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -155.39 68.83 0.68 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.072 0.939 . . . . 0.0 110.484 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -3.62 31.05 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.518 -172.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.637 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -156.77 146.07 20.44 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 120.822 -1.174 . . . . 0.0 111.34 177.305 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -68.07 -24.74 65.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.481 0.658 . . . . 0.0 112.707 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.1 t -49.85 -22.77 1.58 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.705 0.764 . . . . 0.0 110.745 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.691 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 2.5 m-30 -147.91 78.08 1.43 Allowed 'General case' 0 C--O 1.244 0.763 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 172.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -104.77 152.64 22.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.885 0.85 . . . . 0.0 111.875 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.744 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 4.4 mt -92.93 -177.09 4.4 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.784 0.802 . . . . 0.0 111.119 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.712 ' CD1' HG22 ' A' ' 67' ' ' THR . 2.6 m-85 -144.2 167.33 22.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.915 0.864 . . . . 0.0 110.804 173.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -68.47 -31.56 70.94 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.654 0.74 . . . . 0.0 111.271 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -89.55 11.26 20.08 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.679 -0.638 . . . . 0.0 112.247 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.58 63.87 Favored Glycine 0 C--O 1.252 1.231 0 O-C-N 120.791 -1.193 . . . . 0.0 113.18 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.712 HG22 ' CD1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -89.97 157.68 17.73 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 119.433 1.617 . . . . 0.0 111.201 -176.701 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.2 tp -126.42 152.39 46.43 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 121.581 -0.7 . . . . 0.0 110.415 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.706 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -132.04 157.63 43.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.945 0.879 . . . . 0.0 111.024 176.673 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.896 HG22 HD21 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -134.86 113.75 16.65 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 110.886 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 21.4 tttm -85.31 137.61 32.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.615 0.721 . . . . 0.0 111.887 -173.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.599 ' O ' HD22 ' A' ' 73' ' ' LEU . 18.7 t60 59.91 97.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.475 1.607 . . . . 0.0 110.316 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.896 HD21 HG22 ' A' ' 70' ' ' ILE . 1.9 mm? -130.97 83.75 2.14 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -168.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.11 -175.48 4.82 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 120.856 -1.153 . . . . 0.0 110.459 167.347 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.1 m -61.29 -25.72 67.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.281 1.039 . . . . 0.0 112.179 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -37.0 51.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.053 0.93 . . . . 0.0 110.892 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.54 ' CB ' ' HA ' ' A' ' 73' ' ' LEU . 5.1 m-20 -74.19 -1.34 19.99 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.654 173.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.848 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -82.4 129.73 34.95 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 120.76 -1.212 . . . . 0.0 111.086 172.68 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.94 170.79 16.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.316 1.055 . . . . 0.0 111.337 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.005 HG22 HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER -90.18 139.14 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.601 173.535 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.983 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 25.5 m-85 -134.04 161.52 34.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.42 1.105 . . . . 0.0 110.911 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -146.5 136.18 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.796 0.807 . . . . 0.0 110.656 174.319 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.022 HG22 HD11 ' A' ' 85' ' ' ILE . 7.7 p -112.37 117.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 122.68 1.228 . . . . 0.0 111.086 -173.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.478 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 62.5 p -122.33 121.12 35.98 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.259 174.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.022 HD11 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -131.01 114.34 26.62 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 121.95 -0.469 . . . . 0.0 109.929 -172.692 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 5.4 m-30 -110.8 156.69 20.74 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.682 -1.261 . . . . 0.0 112.415 -167.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.698 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.9 p30 -81.33 -175.54 5.52 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 122.051 0.929 . . . . 0.0 111.176 174.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASP . 71.2 p -56.93 -32.31 65.83 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 121.629 -0.669 . . . . 0.0 112.21 -173.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -94.98 30.66 2.05 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.189 -0.944 . . . . 0.0 112.388 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.86 19.79 59.09 Favored Glycine 0 C--O 1.246 0.858 0 O-C-N 121.227 -0.921 . . . . 0.0 112.401 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 136.87 32.78 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.443 -1.034 . . . . 0.0 111.316 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -74.36 92.23 2.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.17 0.986 . . . . 0.0 110.786 173.523 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.706 HG21 HD11 ' A' ' 30' ' ' ILE . 1.9 m -77.27 -16.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.726 -178.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.549 HD21 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -179.64 149.04 0.36 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.821 0.82 . . . . 0.0 110.977 176.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.78 170.05 23.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.78 0.8 . . . . 0.0 110.995 -173.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.625 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -175.07 168.56 3.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.037 0.923 . . . . 0.0 111.084 179.149 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.401 ' C ' ' HD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -123.69 114.93 43.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-O 121.312 0.577 . . . . 0.0 110.979 -173.218 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 1.107 ' HD2' HD12 ' A' ' 19' ' ' LEU . 5.3 m-30 -111.75 173.21 6.46 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 120.979 -1.076 . . . . 0.0 112.039 -171.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.45 ' OD1' HG12 ' A' ' 80' ' ' ILE . 13.6 t0 -162.96 108.66 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.027 0.918 . . . . 0.0 110.965 -172.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.983 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -76.98 125.54 29.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.584 0.707 . . . . 0.0 110.86 -178.455 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 161.81 19.97 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 124.297 1.999 . . . . 0.0 113.77 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -124.95 158.93 32.3 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.61 169.143 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.1 157.93 45.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 123.113 1.435 . . . . 0.0 112.713 -171.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -171.78 86.19 0.08 Allowed 'General case' 0 C--O 1.238 0.455 0 CA-C-O 123.12 1.438 . . . . 0.0 110.811 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 . . . . . 0 C--O 1.27 2.18 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.266 -173.612 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.424 ' O7 ' ' C3 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 1' ' ' LYS . 1.5 pttp . . . . . 0 C--O 1.24 0.591 0 CA-C-O 121.934 0.873 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.46 167.96 28.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.902 0.858 . . . . 0.0 110.966 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.26 167.9 5.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.887 0.851 . . . . 0.0 110.955 -174.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.4 p -140.77 176.22 8.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.735 1.255 . . . . 0.0 111.232 -173.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -131.05 44.72 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 123.047 1.403 . . . . 0.0 110.493 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.74 171.91 7.72 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.963 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.886 HD12 ' CE1' ' A' ' 98' ' ' PHE . 26.1 mt -124.62 108.25 11.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.177 0.989 . . . . 0.0 111.389 -173.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.73 107.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.86 0.838 . . . . 0.0 111.03 -175.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.4 137.63 50.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.628 0.728 . . . . 0.0 110.721 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -136.73 142.51 43.06 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 121.454 0.645 . . . . 0.0 111.306 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.636 ' HA3' HD12 ' A' ' 73' ' ' LEU . . . -160.44 132.05 2.82 Favored Glycine 0 C--O 1.243 0.7 0 O-C-N 121.251 -0.905 . . . . 0.0 111.78 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.48 155.28 29.71 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 121.456 -1.026 . . . . 0.0 110.512 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.1 mp -62.28 135.71 57.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.739 1.257 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.93 34.73 33.11 Favored Glycine 0 C--O 1.241 0.543 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.518 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.697 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -131.54 116.04 16.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.133 0.968 . . . . 0.0 110.825 -172.361 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -78.5 132.93 37.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.517 1.151 . . . . 0.0 110.889 -173.247 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.708 ' CD1' HD13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -125.8 175.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 122.792 1.282 . . . . 0.0 112.177 -171.149 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.424 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -129.1 126.25 38.95 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.974 173.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.897 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.4 OUTLIER -79.72 102.3 8.92 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.845 0.831 . . . . 0.0 110.142 172.755 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.39 -155.98 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.952 0.882 . . . . 0.0 111.028 -171.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.989 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.0 151.26 10.41 Favored Pre-proline 0 C--O 1.242 0.707 0 CA-C-O 121.424 0.631 . . . . 0.0 110.766 -172.244 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.989 ' HD2' HG12 ' A' ' 21' ' ' ILE . 22.8 Cg_exo -43.93 177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.633 4.889 . . . . 0.0 115.491 176.236 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.32 31.84 0.98 Allowed 'General case' 0 C--O 1.246 0.903 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.68 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.82 149.63 23.65 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 121.379 -0.825 . . . . 0.0 110.75 173.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -134.07 119.74 19.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.865 0.84 . . . . 0.0 111.187 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.42 170.35 1.02 Allowed 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.493 0.663 . . . . 0.0 110.919 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -131.37 -125.93 0.2 Allowed 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.546 -0.722 . . . . 0.0 110.444 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -90.75 -10.5 42.72 Favored 'General case' 0 C--O 1.261 1.665 0 O-C-N 120.617 -1.302 . . . . 0.0 112.553 -171.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 88' ' ' THR . 23.8 m-20 -108.37 -5.94 16.47 Favored 'General case' 0 C--O 1.258 1.534 0 O-C-N 120.344 -1.473 . . . . 0.0 113.784 -170.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.24 130.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.74 -178.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.14 -30.33 1.76 Allowed 'General case' 0 C--O 1.257 1.496 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -113.15 149.8 33.09 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.697 -1.252 . . . . 0.0 111.217 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.034 HG21 HD11 ' A' ' 62' ' ' LEU . 4.1 mp -135.83 161.82 37.71 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.729 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 36' ' ' GLU . 14.3 ttpt -157.87 147.99 20.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.723 1.725 . . . . 0.0 112.818 173.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.897 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 47.7 m95 -147.61 109.62 4.5 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.082 173.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 5.3 tt0 -107.29 162.89 13.49 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.736 -0.603 . . . . 0.0 110.797 -173.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.7 ttpm? -90.04 83.26 6.08 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.561 -0.712 . . . . 0.0 109.638 173.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 81' ' ' TYR . 1.1 p -22.49 -62.55 0.04 OUTLIER 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.134 1.373 . . . . 0.0 113.88 -169.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -54.78 24.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.937 0.875 . . . . 0.0 111.068 -175.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.48 -7.66 48.93 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -175.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt 48.45 48.69 19.07 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.621 -1.299 . . . . 0.0 111.009 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -119.99 97.07 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 123.305 1.526 . . . . 0.0 112.228 -173.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.774 ' HD3' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -45.49 102.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 CA-C-O 122.463 1.125 . . . . 0.0 111.589 173.523 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.871 HD12 ' CE1' ' A' ' 60' ' ' TYR . 7.5 pt -93.15 -26.06 4.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.576 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -154.04 144.06 21.96 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.453 -0.78 . . . . 0.0 110.794 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.409 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 6.0 pt20 -171.78 153.28 3.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.784 1.278 . . . . 0.0 112.055 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.974 ' CE1' HG21 ' A' ' 53' ' ' THR . 0.2 OUTLIER -120.71 115.75 23.93 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.803 173.73 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.428 ' HG2' ' HG3' ' A' ' 49' ' ' LYS . 11.4 ttt85 -155.82 134.32 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.561 0.696 . . . . 0.0 110.659 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 1.5 mtpp 66.83 134.22 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.609 0.719 . . . . 0.0 110.537 -172.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.66 33.83 0.91 Allowed 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.571 -0.706 . . . . 0.0 111.892 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.5 -9.69 7.42 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 173.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 176.02 112.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.24 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.974 HG21 ' CE1' ' A' ' 47' ' ' PHE . 16.6 p -112.48 -176.63 2.96 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.626 0.727 . . . . 0.0 111.265 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' HE1' ' O ' ' A' ' 44' ' ' ILE . 32.0 t80 -132.22 89.94 2.74 Favored 'General case' 0 C--O 1.251 1.183 0 O-C-N 121.626 -0.671 . . . . 0.0 111.192 -174.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.82 10.71 0.14 Allowed 'General case' 0 C--O 1.257 1.467 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -174.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.64 83.81 6.74 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 120.13 1.332 . . . . 0.0 112.028 -173.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.623 ' HB2' HG22 ' A' ' 59' ' ' THR . 7.1 ptmt 179.39 149.75 0.29 Allowed 'General case' 0 C--O 1.257 1.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.552 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.4 -28.64 24.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.325 1.059 . . . . 0.0 112.249 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 57' ' ' LYS . 6.4 t -51.23 -32.61 24.68 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.307 174.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.871 ' CE1' HD12 ' A' ' 44' ' ' ILE . 87.1 m-85 -150.54 105.8 3.35 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.117 172.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.609 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -106.8 160.93 15.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.55 1.167 . . . . 0.0 111.656 178.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.034 HD11 HG21 ' A' ' 33' ' ' ILE . 2.5 tp -120.01 124.84 46.88 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 124.354 1.062 . . . . 0.0 110.387 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.872 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 59.9 m-85 -111.78 171.68 7.35 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.673 -1.267 . . . . 0.0 111.252 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.01 67.22 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.822 0.82 . . . . 0.0 110.965 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.746 ' O ' HG21 ' A' ' 21' ' ' ILE . 12.4 p30 -79.05 0.9 26.0 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 121.715 -0.616 . . . . 0.0 112.049 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 23.39 38.25 Favored Glycine 0 C--O 1.25 1.118 0 O-C-N 120.871 -1.143 . . . . 0.0 112.245 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.72 HG22 ' HD2' ' A' ' 63' ' ' PHE . 3.3 m -89.99 158.92 17.14 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.002 -1.293 . . . . 0.0 110.801 173.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 2.5 tp -133.74 104.21 6.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.036 0.922 . . . . 0.0 111.4 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.872 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 14.7 tttt -87.0 102.77 14.72 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 121.689 -0.632 . . . . 0.0 110.779 -173.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.708 HD13 ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -117.26 131.41 70.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 123.231 1.491 . . . . 0.0 109.402 -173.033 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 23.1 tttp -100.44 155.48 17.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.335 -171.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 60.61 107.21 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.207 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.807 ' O ' HD13 ' A' ' 73' ' ' LEU . 1.6 tm? -134.91 69.91 1.45 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.5 -172.49 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.977 0.894 . . . . 0.0 110.623 168.571 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.454 ' HA ' HG13 ' A' ' 102' ' ' ILE . 64.4 m -55.52 -27.84 51.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.181 0.991 . . . . 0.0 112.546 175.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -30.22 30.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.113 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.66 11.12 40.04 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.482 ' HB2' HD11 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -90.66 85.35 6.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.84 -1.162 . . . . 0.0 111.138 174.14 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 80' ' ' ILE . 3.1 m-20 -100.53 171.42 7.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.239 1.019 . . . . 0.0 111.147 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.7 HG23 ' HB3' ' A' ' 99' ' ' ASP . 0.5 OUTLIER -95.55 147.67 5.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.868 172.698 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.867 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 59.3 m-85 -139.77 164.22 30.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.441 1.115 . . . . 0.0 111.607 -171.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.443 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 32.1 ttmt -153.69 131.82 11.84 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.927 0.87 . . . . 0.0 110.83 174.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.036 HG22 HD11 ' A' ' 85' ' ' ILE . 4.5 p -105.58 119.68 55.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 122.438 1.113 . . . . 0.0 111.356 -173.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.09 122.2 37.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.775 0.798 . . . . 0.0 110.303 173.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.036 HD11 HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -131.41 120.86 47.11 Favored 'Isoleucine or valine' 0 C--O 1.255 1.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.912 -173.353 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -118.03 168.57 10.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.897 1.332 . . . . 0.0 112.405 -167.714 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.484 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 9.1 p30 -89.19 -174.78 4.55 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.361 1.077 . . . . 0.0 110.998 176.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASP . 68.7 p -56.58 -24.07 44.98 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.421 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -99.38 25.47 6.93 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.952 -1.093 . . . . 0.0 112.581 -172.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.55 15.19 56.97 Favored Glycine 0 C--O 1.248 1.016 0 O-C-N 121.123 -0.986 . . . . 0.0 111.946 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 11.1 mttt -90.32 119.83 30.94 Favored 'General case' 0 C--O 1.246 0.891 0 O-C-N 121.174 -1.192 . . . . 0.0 111.45 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -60.46 93.47 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.381 1.086 . . . . 0.0 110.648 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 91' ' ' LYS . 1.6 m -84.92 -11.96 11.49 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.453 0.644 . . . . 0.0 112.422 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tp -167.08 149.5 6.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.106 0.955 . . . . 0.0 110.846 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.7 152.94 36.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.926 0.869 . . . . 0.0 111.099 -173.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 1.1 tptm -161.88 162.66 29.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.817 0.817 . . . . 0.0 111.079 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.1 mt -117.76 148.31 20.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.585 0.707 . . . . 0.0 110.978 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.886 ' CE1' HD12 ' A' ' 7' ' ' LEU . 6.4 m-85 -137.37 174.73 10.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.156 0.979 . . . . 0.0 111.116 -178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.7 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -170.17 102.87 0.29 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.528 0.68 . . . . 0.0 111.019 174.142 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.816 HD13 HD21 ' A' ' 19' ' ' LEU . 1.2 tp -54.02 146.1 15.31 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.673 0.749 . . . . 0.0 111.044 174.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.56 171.55 12.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.51 1.148 . . . . 0.0 111.342 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 13' ' ' LEU . 32.5 mm -126.37 146.17 32.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.211 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.513 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -141.13 151.18 43.7 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -172.403 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -173.54 90.92 0.08 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.798 1.285 . . . . 0.0 111.052 -176.577 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.169 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.05 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.534 ' H83' ' O2 ' ' A' ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MAN . . . . . 0.534 ' O2 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.539 0 CA-C-O 121.956 0.884 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -84.22 111.6 19.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.772 0.796 . . . . 0.0 111.04 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.88 146.54 19.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.129 0.966 . . . . 0.0 111.048 -174.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 p -112.74 177.41 4.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.626 1.203 . . . . 0.0 110.986 174.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -127.07 42.81 3.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.081 1.42 . . . . 0.0 110.13 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.62 171.34 8.64 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.02 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.91 HD12 ' CE2' ' A' ' 98' ' ' PHE . 13.8 mt -132.99 100.89 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.593 1.187 . . . . 0.0 111.364 -173.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.3 107.92 0.42 Allowed 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.037 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.94 146.64 32.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.849 0.833 . . . . 0.0 110.98 176.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -142.92 147.4 35.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.647 0.736 . . . . 0.0 110.842 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.734 ' HA3' HD11 ' A' ' 73' ' ' LEU . . . -154.53 175.92 32.49 Favored Glycine 0 C--O 1.239 0.455 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -174.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.722 ' N ' HD12 ' A' ' 73' ' ' LEU . . . -126.86 128.83 47.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.948 0.88 . . . . 0.0 111.04 -174.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.725 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -46.86 122.18 4.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.372 1.558 . . . . 0.0 110.767 174.792 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.725 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 85.31 49.53 4.39 Favored Glycine 0 C--O 1.254 1.35 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.426 -172.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.796 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -142.0 -179.43 6.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 120.851 -1.381 . . . . 0.0 111.155 -173.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.796 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -135.75 121.32 19.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.232 1.015 . . . . 0.0 109.339 169.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.005 HG21 HD11 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -120.17 157.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.711 1.243 . . . . 0.0 112.719 -169.701 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.59 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.68 167.72 9.93 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 123.424 1.583 . . . . 0.0 112.081 173.771 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.843 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -123.48 90.54 3.3 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 124.328 1.051 . . . . 0.0 109.979 172.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -154.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.756 0.789 . . . . 0.0 111.238 -170.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 94' ' ' LEU . 3.4 tp -169.56 155.21 5.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 121.383 0.611 . . . . 0.0 110.951 -172.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 1.011 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 23.1 Cg_exo -44.47 -172.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.303 1 C-N-CA 126.939 5.092 . . . . 0.0 115.465 174.084 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -87.88 30.94 0.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.574 -1.193 . . . . 0.0 112.186 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.682 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -121.14 139.46 53.32 Favored 'General case' 0 C--O 1.244 0.785 0 O-C-N 121.555 -0.716 . . . . 0.0 110.615 172.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.682 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -159.57 161.2 35.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.282 1.039 . . . . 0.0 111.437 -174.423 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.548 ' CE ' HD11 ' A' ' 33' ' ' ILE . 15.5 ptp -70.6 164.93 23.88 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.319 1.057 . . . . 0.0 112.718 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m -156.38 -109.14 0.03 OUTLIER 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.701 -0.625 . . . . 0.0 110.033 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -88.77 -15.28 35.07 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 121.503 -0.748 . . . . 0.0 112.181 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.48 -29.97 9.86 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.744 -1.223 . . . . 0.0 113.484 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -85.08 153.36 3.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 121.658 0.742 . . . . 0.0 110.965 -173.607 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.683 ' OD1' HG22 ' A' ' 88' ' ' THR . 0.3 OUTLIER -137.18 -29.56 0.89 Allowed 'General case' 0 C--O 1.261 1.708 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -172.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -124.98 153.0 43.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 120.572 1.533 . . . . 0.0 111.648 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.865 HG23 HG23 ' A' ' 85' ' ' ILE . 1.6 mt -133.72 160.11 42.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.895 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.839 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.666 ' HG3' ' HG2' ' A' ' 46' ' ' GLN . 6.1 tttm -158.73 144.03 16.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.467 1.603 . . . . 0.0 112.183 176.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.843 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 36.1 m95 -131.94 130.11 41.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.472 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 33.9 tt0 -114.58 159.46 20.4 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.608 -0.683 . . . . 0.0 110.873 -173.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.861 ' NZ ' ' HB2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -104.23 149.16 25.54 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.306 0.574 . . . . 0.0 109.971 -178.377 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.988 HG21 ' CG2' ' A' ' 80' ' ' ILE . 19.8 p -84.72 -53.0 5.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.725 0.774 . . . . 0.0 112.063 -172.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.5 m -44.98 -58.63 3.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.718 0.771 . . . . 0.0 112.095 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.861 ' HB2' ' NZ ' ' A' ' 37' ' ' LYS . 1.6 m-20 -105.88 -0.6 25.02 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HG3' ' OE2' ' A' ' 36' ' ' GLU . 31.2 tttt 57.52 58.58 3.7 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 120.923 -1.111 . . . . 0.0 110.307 -173.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.0 ttmt -142.04 141.56 32.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 123.747 1.737 . . . . 0.0 112.109 -172.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.508 ' HB3' ' HE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.47 151.46 0.17 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 123.322 1.534 . . . . 0.0 112.802 -172.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 1.8 mt -128.69 -53.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 122.834 1.302 . . . . 0.0 110.624 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.751 ' CB ' HD13 ' A' ' 62' ' ' LEU . . . -149.71 145.08 26.49 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.397 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.666 ' HG2' ' HG3' ' A' ' 34' ' ' LYS . 14.4 mt-30 -156.13 157.61 36.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.56 1.648 . . . . 0.0 112.892 175.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.719 ' HE1' HG21 ' A' ' 53' ' ' THR . 3.7 m-85 -129.61 130.25 45.4 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.536 172.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -151.14 121.67 7.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.573 -0.704 . . . . 0.0 110.792 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.48 154.27 0.12 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.196 0.998 . . . . 0.0 110.356 -173.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.73 47.67 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.242 1.496 . . . . 0.0 110.686 172.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -124.63 -94.87 0.47 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.872 1.32 . . . . 0.0 109.105 -174.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -117.74 144.17 45.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.698 172.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.719 HG21 ' HE1' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -107.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.143 0.973 . . . . 0.0 112.012 -172.216 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.508 ' HE2' ' HB3' ' A' ' 43' ' ' LYS . 6.5 t80 -123.52 100.97 7.07 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.642 0.734 . . . . 0.0 111.263 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.08 107.43 4.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.747 0.784 . . . . 0.0 111.113 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.4 -38.87 48.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.755 0.788 . . . . 0.0 111.107 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.769 ' HB3' HG22 ' A' ' 59' ' ' THR . 15.0 tptt -165.62 172.64 11.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.797 0.808 . . . . 0.0 110.954 -174.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.87 -30.02 69.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.079 0.942 . . . . 0.0 112.364 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.769 HG22 ' HB3' ' A' ' 57' ' ' LYS . 8.8 t -50.69 -19.27 0.89 Allowed 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.989 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE1' HG23 ' A' ' 70' ' ' ILE . 11.4 m-85 -150.45 101.48 2.96 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 121.391 -0.818 . . . . 0.0 111.261 172.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HE3' ' O ' ' A' ' 62' ' ' LEU . 6.2 tttp -133.29 148.43 51.93 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.937 -1.102 . . . . 0.0 112.359 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.751 HD13 ' CB ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -92.68 159.64 15.35 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.469 0.652 . . . . 0.0 111.432 -176.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 86.8 m-85 -129.07 176.65 7.73 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.932 0.872 . . . . 0.0 111.13 173.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.6 -38.61 77.35 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.317 -0.864 . . . . 0.0 111.019 -176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.509 ' O ' HG21 ' A' ' 21' ' ' ILE . 14.5 p30 -79.88 3.25 20.34 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.66 -0.65 . . . . 0.0 112.127 -174.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.68 23.72 48.97 Favored Glycine 0 C--O 1.251 1.16 0 O-C-N 120.85 -1.156 . . . . 0.0 112.284 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.594 HG22 ' CD2' ' A' ' 63' ' ' PHE . 2.3 m -90.22 160.86 15.99 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 120.92 -1.341 . . . . 0.0 110.925 173.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.823 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.9 tp -132.35 116.49 16.93 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.108 -0.995 . . . . 0.0 111.282 172.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.651 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 1.9 tptt -81.82 118.74 23.13 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.694 0.759 . . . . 0.0 111.283 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.707 HD11 ' HG ' ' A' ' 19' ' ' LEU . 2.3 mt -111.38 111.41 36.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.535 0.683 . . . . 0.0 110.189 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -80.31 152.6 28.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.804 0.811 . . . . 0.0 110.943 175.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER 61.58 122.07 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.671 1.701 . . . . 0.0 110.897 -172.43 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 100' ' ' LEU . 2.6 tm? -135.62 61.74 1.65 Allowed 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.995 1.379 . . . . 0.0 111.639 -171.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.721 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.0 -175.0 2.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 122.827 1.299 . . . . 0.0 112.498 173.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.4 m -56.98 -28.29 62.21 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.161 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.06 -43.69 14.84 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.209 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.77 -13.09 62.11 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.87 -0.519 . . . . 0.0 111.856 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.423 ' CG ' HG12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -82.4 115.79 21.58 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.02 -1.05 . . . . 0.0 111.003 -178.226 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.9 177.33 8.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.444 1.116 . . . . 0.0 111.167 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.988 ' CG2' HG21 ' A' ' 38' ' ' THR . 8.0 mt -101.53 149.37 6.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.86 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 172.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 1.037 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 16.3 m-85 -139.85 172.82 12.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 122.017 0.913 . . . . 0.0 110.967 -171.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -151.39 122.28 7.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.942 0.877 . . . . 0.0 110.834 173.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.516 ' CG2' HD11 ' A' ' 85' ' ' ILE . 4.6 p -97.3 115.55 37.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.683 1.23 . . . . 0.0 111.121 -173.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -123.29 111.7 16.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.713 0.768 . . . . 0.0 110.354 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.865 HG23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -124.73 124.9 68.99 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.853 -173.029 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.08 -179.94 3.98 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 120.467 -1.396 . . . . 0.0 112.51 -167.824 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.76 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.4 p-10 -99.32 -168.5 1.62 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.296 1.046 . . . . 0.0 110.688 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.683 HG22 ' OD1' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -62.98 -34.2 77.02 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.329 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -92.34 15.45 13.82 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.643 -0.66 . . . . 0.0 112.392 -173.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.83 23.43 78.01 Favored Glycine 0 C--O 1.25 1.131 0 O-C-N 120.862 -1.149 . . . . 0.0 112.568 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.76 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 5.7 mmmt -90.66 125.11 35.56 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 121.024 -1.28 . . . . 0.0 111.22 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.54 88.89 0.14 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.82 0.819 . . . . 0.0 110.32 172.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 91' ' ' LYS . 6.2 m -84.51 -26.82 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 122.433 1.111 . . . . 0.0 112.363 -173.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -138.93 143.29 38.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.569 1.176 . . . . 0.0 110.189 176.155 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.878 ' N ' HD23 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -158.66 152.03 22.89 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.431 -172.479 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.87 ' HG3' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -174.13 150.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.007 0.908 . . . . 0.0 110.991 -178.648 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.5 151.34 7.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.91 ' CE2' HD12 ' A' ' 7' ' ' LEU . 2.8 m-85 -134.9 166.11 23.76 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.592 -0.693 . . . . 0.0 111.101 -176.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.764 ' OD2' HG12 ' A' ' 80' ' ' ILE . 3.5 m-20 -149.68 90.16 1.68 Allowed 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.608 -0.683 . . . . 0.0 111.236 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.037 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -66.05 125.94 27.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.843 0.83 . . . . 0.0 110.747 177.428 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 166.67 16.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.653 1.216 . . . . 0.0 112.091 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.553 ' CD1' HD13 ' A' ' 73' ' ' LEU . 4.3 mm -124.0 144.38 33.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.805 170.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 26.8 tt0 -127.36 61.38 1.38 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 124.98 2.324 . . . . 0.0 110.453 -172.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -175.53 94.14 0.06 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 124.113 1.911 . . . . 0.0 110.559 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 . . . . . 0 C--O 1.27 2.158 0 CA-C-N 113.6 -1.636 . . . . 0.0 111.043 -179.714 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.952 0.882 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -128.61 161.74 28.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.797 0.808 . . . . 0.0 110.994 -173.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.28 155.61 2.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.909 0.861 . . . . 0.0 111.23 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.7 p -102.44 140.76 36.3 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 121.665 0.745 . . . . 0.0 110.965 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.557 ' O ' HD12 ' A' ' 97' ' ' ILE . 13.5 p30 -160.17 53.12 0.33 Allowed 'General case' 0 C--O 1.248 0.976 0 O-C-N 121.363 -0.836 . . . . 0.0 111.531 -173.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.06 172.75 14.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 123.296 1.522 . . . . 0.0 112.22 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.061 HD23 ' CE2' ' A' ' 98' ' ' PHE . 15.7 tp -139.32 122.01 16.39 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.934 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 117.79 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.522 0.677 . . . . 0.0 111.083 175.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.457 ' HB ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -118.83 116.18 25.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.644 0.735 . . . . 0.0 110.557 -176.694 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -104.01 156.13 18.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.195 0.998 . . . . 0.0 112.501 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.31 -174.49 30.17 Favored Glycine 0 C--O 1.239 0.446 0 CA-C-O 122.378 0.988 . . . . 0.0 111.595 173.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.0 158.83 43.34 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 121.739 -0.859 . . . . 0.0 110.389 173.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 102' ' ' ILE . 3.5 mp -79.31 138.06 37.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.712 1.72 . . . . 0.0 113.186 -172.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.93 34.33 38.54 Favored Glycine 0 N--CA 1.466 0.65 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -173.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.582 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 4.0 tp60 -164.58 152.95 12.47 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 124.679 2.18 . . . . 0.0 115.13 -168.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.582 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -79.39 157.32 27.63 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 123.506 1.622 . . . . 0.0 112.546 -171.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.457 HD11 ' HB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -146.04 139.47 20.82 Favored 'Isoleucine or valine' 0 C--O 1.25 1.094 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.96 172.694 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -104.27 158.35 16.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.56 1.648 . . . . 0.0 112.593 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.097 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -117.65 69.07 0.77 Allowed 'General case' 0 C--O 1.242 0.704 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.703 -177.124 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.41 104.54 14.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.508 1.147 . . . . 0.0 109.867 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.031 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -96.36 -54.75 0.21 Allowed Pre-proline 0 C--O 1.264 1.853 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -169.473 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 1.031 ' HD3' HG23 ' A' ' 21' ' ' ILE . 25.3 Cg_endo -80.45 142.27 14.63 Favored 'Trans proline' 1 N--CA 1.536 4.009 1 C-N-CA 126.124 4.549 . . . . 0.0 117.893 -170.728 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 t -93.69 21.37 6.49 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 124.08 0.952 . . . . 0.0 111.06 172.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -123.33 172.27 8.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.212 1.006 . . . . 0.0 111.735 -170.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.2 106.57 6.44 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.892 0.853 . . . . 0.0 110.882 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.17 159.93 1.18 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.306 1.05 . . . . 0.0 111.282 -173.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.71 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.8 1.286 . . . . 0.0 112.053 -173.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.58 -98.22 0.03 OUTLIER 'General case' 0 C--O 1.254 1.332 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.937 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.851 ' O ' HG23 ' A' ' 88' ' ' THR . 3.8 m-20 -127.44 16.98 7.06 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.834 -1.166 . . . . 0.0 112.46 -172.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.501 HD12 HG21 ' A' ' 93' ' ' VAL . 9.5 mm -64.38 124.71 19.71 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 O-C-N 120.989 -1.069 . . . . 0.0 110.693 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -123.82 -39.16 2.42 Favored 'General case' 0 C--O 1.258 1.532 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -172.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.46 151.04 29.04 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.535 -1.353 . . . . 0.0 111.868 -171.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.906 ' HA ' HG23 ' A' ' 85' ' ' ILE . 2.5 mt -140.76 117.01 7.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.815 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.31 150.79 39.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.595 1.188 . . . . 0.0 111.371 -173.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 1.097 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.3 m95 -146.43 117.21 7.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.644 173.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.62 ' C ' HD12 ' A' ' 44' ' ' ILE . 4.0 mt-10 -105.2 162.28 13.54 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.397 0.618 . . . . 0.0 110.8 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.922 ' HB2' HD11 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -101.09 107.93 19.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.624 0.726 . . . . 0.0 109.806 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 1.094 ' CG2' HG22 ' A' ' 80' ' ' ILE . 6.4 p -50.38 -35.11 26.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.269 -171.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.4 m -53.37 -76.02 0.03 OUTLIER 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.561 0.696 . . . . 0.0 111.35 -173.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.53 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -95.95 12.26 31.0 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 121.657 -0.652 . . . . 0.0 111.974 -177.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.38 56.14 8.13 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.986 -1.071 . . . . 0.0 110.219 -173.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.1 mmmt -134.8 128.82 33.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.977 1.37 . . . . 0.0 111.221 -173.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -43.08 152.65 0.11 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 123.923 1.82 . . . . 0.0 113.413 -172.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.922 HD11 ' HB2' ' A' ' 37' ' ' LYS . 39.8 mt -130.65 -49.31 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 122.744 1.259 . . . . 0.0 110.595 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -154.37 134.4 13.11 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.341 -174.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.51 145.86 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.062 1.411 . . . . 0.0 112.627 -173.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.536 ' HD1' HG22 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.1 137.47 49.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.59 172.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.61 86.58 0.31 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.486 0.66 . . . . 0.0 110.89 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 65.85 155.67 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.541 1.162 . . . . 0.0 110.131 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.79 44.32 1.11 Allowed 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.33 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.64 -10.09 14.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.742 1.258 . . . . 0.0 113.937 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 169.4 125.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.863 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.536 HG22 ' HD1' ' A' ' 47' ' ' PHE . 5.1 p -136.99 162.33 33.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.025 0.917 . . . . 0.0 111.234 -175.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -113.76 103.93 11.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.822 0.82 . . . . 0.0 110.947 -179.235 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -153.84 97.57 2.1 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.54 -54.67 6.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.577 0.703 . . . . 0.0 111.31 -175.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 176.69 12.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.331 1.063 . . . . 0.0 110.816 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.29 -35.63 75.99 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.895 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.439 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 89.3 m -54.04 -16.78 2.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.367 -173.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.627 ' HE1' ' CE1' ' A' ' 81' ' ' TYR . 28.2 m-85 -147.79 88.71 1.7 Allowed 'General case' 0 C--O 1.251 1.173 0 O-C-N 121.652 -0.655 . . . . 0.0 110.538 173.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.824 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -106.06 159.58 15.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.238 1.494 . . . . 0.0 112.156 -172.774 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.732 HD11 HG22 ' A' ' 33' ' ' ILE . 13.4 tp -117.53 129.81 56.03 Favored 'General case' 0 C--O 1.251 1.142 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.611 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.824 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 22.3 m-30 -101.68 174.01 6.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.294 1.045 . . . . 0.0 111.214 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -72.73 -33.62 66.52 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-O 121.735 0.779 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -84.56 2.98 38.8 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 121.829 -0.545 . . . . 0.0 112.185 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.683 ' HA2' HG21 ' A' ' 33' ' ' ILE . . . 87.19 18.3 57.72 Favored Glycine 0 C--O 1.251 1.186 0 O-C-N 120.822 -1.174 . . . . 0.0 112.774 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.623 ' HB ' ' HD2' ' A' ' 63' ' ' PHE . 2.8 m -90.14 146.88 23.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.851 -1.382 . . . . 0.0 110.921 173.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.723 HD23 ' HG ' ' A' ' 19' ' ' LEU . 1.4 tp -120.93 127.64 52.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 110.911 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.18 145.22 30.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.022 0.915 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.711 HD11 ' CE2' ' A' ' 81' ' ' TYR . 4.3 mt -112.75 98.76 7.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 171.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 24.1 tttt -77.11 134.82 38.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 124.038 1.875 . . . . 0.0 115.586 -167.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.7 t60 39.67 90.68 0.01 OUTLIER 'General case' 0 C--O 1.252 1.206 0 C-N-CA 125.886 1.674 . . . . 0.0 114.716 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.754 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -179.37 175.87 0.88 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 125.586 2.612 . . . . 0.0 114.975 170.7 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.601 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.51 -155.96 0.51 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-N 113.663 -1.608 . . . . 0.0 113.112 -172.757 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.447 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.7 m -45.4 -27.29 0.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 0.0 112.712 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -49.13 73.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 1.1 m-20 -70.83 -11.34 60.9 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.142 173.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 1.026 ' HG2' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -87.92 100.72 13.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.621 1.2 . . . . 0.0 110.305 178.553 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.909 ' C ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -135.4 168.99 18.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.95 1.357 . . . . 0.0 111.563 178.701 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.094 HG22 ' CG2' ' A' ' 38' ' ' THR . 96.4 mt -84.45 142.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 122.65 1.214 . . . . 0.0 110.699 175.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.711 ' CE2' HD11 ' A' ' 70' ' ' ILE . 96.8 m-85 -137.38 168.76 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.941 0.877 . . . . 0.0 110.849 -172.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' CG ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -150.45 135.58 17.78 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 121.445 0.641 . . . . 0.0 110.429 173.399 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.095 HG23 HD11 ' A' ' 85' ' ' ILE . 1.4 p -117.74 128.32 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.596 1.189 . . . . 0.0 111.535 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.769 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 61.4 p -134.65 106.91 7.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.779 0.8 . . . . 0.0 110.494 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.095 HD11 HG23 ' A' ' 83' ' ' VAL . 2.1 mm -110.78 119.17 58.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.72 -173.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.769 ' HE1' ' HB2' ' A' ' 84' ' ' SER . 1.0 OUTLIER -110.03 171.02 7.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.905 1.336 . . . . 0.0 112.601 -167.475 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.635 ' HB3' HG11 ' A' ' 93' ' ' VAL . 41.3 p-10 -93.99 -168.4 1.87 Allowed 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.857 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 29' ' ' ASP . 36.8 p -59.46 -28.23 66.8 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.988 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -90.71 3.85 53.15 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 121.167 -0.958 . . . . 0.0 112.62 -173.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.08 1.94 90.45 Favored Glycine 0 C--O 1.252 1.275 0 O-C-N 120.734 -1.229 . . . . 0.0 112.75 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.748 -1.442 . . . . 0.0 111.902 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -72.45 86.06 1.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.819 0.819 . . . . 0.0 110.315 172.563 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 87' ' ' ASP . 1.7 m -77.31 -23.3 14.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.277 1.036 . . . . 0.0 112.629 -172.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -147.97 145.38 28.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.181 0.991 . . . . 0.0 109.598 173.721 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.952 ' N ' HD13 ' A' ' 94' ' ' LEU . 2.1 tm-20 -155.03 164.97 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.271 1.51 . . . . 0.0 112.899 -171.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.575 ' N ' ' HG2' ' A' ' 95' ' ' GLU . 5.3 mttp -178.4 158.1 1.08 Allowed 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.746 173.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -112.7 159.57 12.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 O-C-N 121.631 -0.668 . . . . 0.0 110.473 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 1.061 ' CE2' HD23 ' A' ' 7' ' ' LEU . 3.8 m-85 -138.48 168.5 19.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.763 1.268 . . . . 0.0 113.082 -171.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.758 ' CG ' HG12 ' A' ' 80' ' ' ILE . 4.0 t0 -157.36 113.85 2.95 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 122.609 1.195 . . . . 0.0 112.04 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.026 ' HB2' ' HG2' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -42.48 160.92 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.88 1.8 . . . . 0.0 115.38 173.253 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.846 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 4.3 mmpt? -159.79 171.37 19.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.261 -1.336 . . . . 0.0 110.582 165.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.717 HG21 ' CD1' ' A' ' 13' ' ' LEU . 3.3 mm -150.76 138.21 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 122.427 1.108 . . . . 0.0 109.491 169.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -100.61 112.75 25.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.799 1.285 . . . . 0.0 111.966 -170.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.83 87.8 0.01 OUTLIER 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.67 173.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.131 0 CA-C-O 122.042 0.925 . . . . 0.0 111.2 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.924 0.868 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -126.08 120.82 31.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.875 0.845 . . . . 0.0 111.05 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 4' ' ' THR . 4.4 mm -121.43 157.78 24.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.942 0.877 . . . . 0.0 110.996 173.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.487 ' O ' HG22 ' A' ' 3' ' ' ILE . 32.4 p -91.54 171.69 9.01 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.964 0.888 . . . . 0.0 110.972 177.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.65 ' O ' HD12 ' A' ' 97' ' ' ILE . 35.4 m-80 -151.79 49.74 0.8 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.019 0.914 . . . . 0.0 110.911 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.4 172.9 17.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.248 1.023 . . . . 0.0 111.142 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.905 HD23 ' CD2' ' A' ' 98' ' ' PHE . 49.3 tp -138.58 95.94 3.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.886 0.85 . . . . 0.0 110.949 -176.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 103.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.851 0.834 . . . . 0.0 110.901 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.712 HG22 ' HA ' ' A' ' 100' ' ' LEU . 1.2 m -109.26 140.05 43.41 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.424 0.63 . . . . 0.0 110.502 -177.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.441 ' CE2' ' HD2' ' A' ' 101' ' ' LYS . 86.0 m95 -137.9 141.5 40.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.786 0.803 . . . . 0.0 111.659 -172.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.79 -136.95 2.94 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.914 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . . . -169.01 146.72 3.75 Favored 'General case' 0 C--O 1.241 0.65 0 O-C-N 121.647 -0.914 . . . . 0.0 111.579 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.998 HD13 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -66.33 122.17 16.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.959 1.838 . . . . 0.0 110.212 172.808 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.872 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 94.04 32.05 7.73 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.914 ' HG3' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -117.59 -173.96 2.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 124.568 2.128 . . . . 0.0 114.326 -169.553 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.56 120.59 6.68 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.966 171.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.658 HG22 HD11 ' A' ' 73' ' ' LEU . 15.5 tt -149.2 163.59 4.33 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.713 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -113.03 161.33 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.732 1.73 . . . . 0.0 112.859 -172.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.099 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -102.27 122.47 44.28 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.841 173.186 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.01 -155.23 0.46 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.979 0.895 . . . . 0.0 111.106 -171.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.994 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -168.95 150.58 4.53 Favored Pre-proline 0 C--O 1.245 0.835 0 CA-C-O 121.388 0.614 . . . . 0.0 110.584 -173.427 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 1.054 ' HG3' HD21 ' A' ' 94' ' ' LEU . 10.0 Cg_endo -46.84 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 127.041 5.161 . . . . 0.0 114.565 176.208 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.06 29.92 0.8 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.566 -174.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.71 123.99 49.85 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 121.647 -0.658 . . . . 0.0 110.06 171.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.96 151.08 39.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.58 1.181 . . . . 0.0 111.203 -172.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.832 ' HG2' HD12 ' A' ' 30' ' ' ILE . 2.5 mtp -89.58 164.77 14.63 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.997 0.903 . . . . 0.0 110.996 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 p -156.41 -120.86 0.03 OUTLIER 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.113 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.46 20.26 4.67 Favored 'General case' 0 C--O 1.254 1.305 0 O-C-N 120.842 -1.161 . . . . 0.0 111.828 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 88' ' ' THR . 97.7 m-20 -124.22 -45.46 1.97 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.532 1.158 . . . . 0.0 112.816 -173.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.832 HD12 ' HG2' ' A' ' 26' ' ' MET . 1.2 mt -73.1 135.53 27.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.691 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -21.25 4.37 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' A' ' 86' ' ' TYR . 5.2 t70 -122.81 143.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 123.059 1.409 . . . . 0.0 111.977 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.021 HG23 ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -132.38 155.65 41.63 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.487 173.501 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.609 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 4.9 mttp -157.61 142.63 16.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 123.254 1.502 . . . . 0.0 111.767 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 68' ' ' LEU . 38.3 m95 -142.34 120.82 12.44 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.55 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 43' ' ' LYS . 3.4 mt-10 -131.71 176.81 8.01 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 121.5 -0.75 . . . . 0.0 111.12 -173.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.642 ' HD3' ' HB3' ' A' ' 42' ' ' LYS . 1.0 OUTLIER -86.36 141.15 29.41 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 121.573 -0.705 . . . . 0.0 109.692 172.002 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 1.077 ' CG2' HG22 ' A' ' 80' ' ' ILE . 25.8 p -69.11 -58.36 4.18 Favored 'General case' 0 C--O 1.244 0.789 0 O-C-N 121.316 -0.865 . . . . 0.0 111.457 -170.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.01 -35.13 10.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.119 0.961 . . . . 0.0 110.776 -173.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.14 -28.89 68.51 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.733 0.777 . . . . 0.0 110.923 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp 55.49 60.2 3.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.944 0.878 . . . . 0.0 110.756 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 37' ' ' LYS . 5.5 tttt -138.76 121.37 16.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.521 1.153 . . . . 0.0 111.468 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HA ' ' CG ' ' A' ' 36' ' ' GLU . 10.3 mttp -49.33 158.84 0.36 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.781 1.277 . . . . 0.0 111.876 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.772 HG23 ' CG ' ' A' ' 60' ' ' TYR . 47.1 mt -138.51 -50.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 123.15 1.452 . . . . 0.0 110.511 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.703 ' CB ' HD13 ' A' ' 62' ' ' LEU . . . -151.2 131.38 13.55 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 -176.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.609 ' HG3' ' HG2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -162.3 141.97 9.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.236 1.493 . . . . 0.0 113.225 -172.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.851 ' CD1' HG21 ' A' ' 53' ' ' THR . 0.3 OUTLIER -126.06 120.11 29.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.372 172.381 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.711 ' H ' HG22 ' A' ' 53' ' ' THR . 8.4 ttm180 -138.33 96.27 3.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.388 -0.82 . . . . 0.0 111.16 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? 68.38 156.88 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.625 1.202 . . . . 0.0 110.269 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.89 38.34 0.8 Allowed 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.045 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.84 -7.93 9.93 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 172.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 50.5 tt0 176.29 113.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.068 -174.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.851 HG21 ' CD1' ' A' ' 47' ' ' PHE . 30.4 p -148.74 168.96 21.52 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.658 0.742 . . . . 0.0 110.952 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -160.13 132.84 6.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 -173.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -170.15 33.43 0.02 OUTLIER 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.811 -0.556 . . . . 0.0 111.408 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -90.14 83.15 6.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.844 0.83 . . . . 0.0 111.388 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.9 mtmt 179.67 129.66 0.08 Allowed 'General case' 0 C--O 1.251 1.181 0 O-C-N 121.889 -0.507 . . . . 0.0 110.875 173.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.16 -35.01 61.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.542 1.163 . . . . 0.0 111.262 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 70' ' ' ILE . 57.3 m -52.03 -26.19 10.27 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.356 173.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.772 ' CG ' HG23 ' A' ' 44' ' ' ILE . 1.6 m-30 -151.06 93.84 1.98 Allowed 'General case' 0 C--O 1.26 1.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 174.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 68' ' ' LEU . 6.6 ttpt -134.85 150.28 50.45 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.613 -1.304 . . . . 0.0 113.243 -173.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.703 HD13 ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.19 168.48 12.71 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.854 0.862 . . . . 0.0 111.22 -176.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 1.046 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 69.6 m-85 -135.2 176.66 8.46 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.101 -0.999 . . . . 0.0 111.05 172.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.47 83.39 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.778 0.799 . . . . 0.0 111.002 177.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.538 ' O ' HG21 ' A' ' 21' ' ' ILE . 19.0 p30 -86.24 7.68 24.22 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 121.761 -0.587 . . . . 0.0 112.141 -174.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.56 22.27 58.65 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.879 -1.138 . . . . 0.0 112.577 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 63' ' ' PHE . 1.1 m -90.21 146.08 24.53 Favored 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.015 -1.285 . . . . 0.0 110.874 173.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.821 HD22 ' HB3' ' A' ' 35' ' ' TRP . 48.6 tp -112.78 102.46 10.49 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.627 -0.671 . . . . 0.0 111.786 173.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 1.046 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 7.8 tttp -78.98 120.31 23.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.336 -0.852 . . . . 0.0 111.284 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.099 HD11 HD22 ' A' ' 19' ' ' LEU . 7.8 mt -108.05 108.08 24.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.011 0.91 . . . . 0.0 110.268 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -98.3 145.88 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.792 0.806 . . . . 0.0 112.686 -172.56 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.524 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 8.6 t-160 60.6 109.82 0.02 OUTLIER 'General case' 0 C--O 1.244 0.81 0 CA-C-O 122.492 1.139 . . . . 0.0 111.964 177.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.106 ' HB3' ' CB ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -140.83 -176.52 4.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 123.762 1.744 . . . . 0.0 112.112 -176.418 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.998 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -153.41 -142.92 0.12 Allowed 'General case' 0 C--O 1.245 0.846 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.806 172.758 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.459 ' N ' ' HB2' ' A' ' 13' ' ' LEU . 17.2 m -79.53 -25.5 41.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 123.548 1.642 . . . . 0.0 110.449 164.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -82.55 -15.91 50.53 Favored 'General case' 0 C--O 1.263 1.792 0 C-N-CA 124.44 1.096 . . . . 0.0 112.92 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 1.106 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 15.4 t70 -69.89 -29.25 66.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 120.319 1.418 . . . . 0.0 110.549 173.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.557 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 6.5 tt0 -50.07 129.85 21.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.685 1.231 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 1.1 t70 -163.16 168.37 20.87 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.164 0.983 . . . . 0.0 110.763 175.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.077 HG22 ' CG2' ' A' ' 38' ' ' THR . 2.4 mp -96.31 146.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.381 1.086 . . . . 0.0 110.372 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.725 ' CD2' HD21 ' A' ' 19' ' ' LEU . 47.6 m-85 -140.66 164.21 30.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.805 0.812 . . . . 0.0 110.693 -171.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.56 134.38 12.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 121.664 0.745 . . . . 0.0 110.58 173.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.893 HG12 ' CE1' ' A' ' 98' ' ' PHE . 5.7 p -107.86 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 122.498 1.142 . . . . 0.0 111.226 -173.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.516 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -120.73 118.03 29.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.766 0.827 . . . . 0.0 110.317 175.664 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.021 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -129.9 119.44 47.33 Favored 'Isoleucine or valine' 0 C--O 1.247 0.964 0 O-C-N 121.821 -0.55 . . . . 0.0 110.052 -173.673 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.528 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 1.4 m-85 -113.57 159.67 19.36 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.725 1.25 . . . . 0.0 112.775 -168.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -84.25 -171.64 3.73 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.12 0.962 . . . . 0.0 111.065 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 29' ' ' ASP . 71.1 p -56.2 -36.55 68.53 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.084 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -86.27 20.14 2.48 Favored 'General case' 0 C--O 1.254 1.313 0 O-C-N 121.207 -0.933 . . . . 0.0 112.685 -172.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.6 11.79 60.54 Favored Glycine 0 C--O 1.25 1.117 0 O-C-N 120.883 -1.136 . . . . 0.0 112.192 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -87.26 134.84 33.5 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.935 -1.332 . . . . 0.0 111.305 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.528 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 43.9 t30 -72.46 87.46 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.179 0.99 . . . . 0.0 110.537 173.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.9 m -75.95 -22.02 15.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.195 0.998 . . . . 0.0 112.387 -173.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.054 HD21 ' HG3' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -154.94 144.38 21.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.439 1.114 . . . . 0.0 110.748 173.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.699 ' H ' HD22 ' A' ' 94' ' ' LEU . 5.3 pt-20 -155.51 147.16 23.07 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.417 -174.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.727 ' HB3' ' HE1' ' A' ' 98' ' ' PHE . 26.6 tttt -165.91 160.19 16.55 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.503 1.144 . . . . 0.0 111.47 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 5' ' ' ASN . 3.0 mt -112.56 140.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.167 0.984 . . . . 0.0 110.814 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.905 ' CD2' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -134.41 154.68 51.25 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.884 -173.073 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.594 ' OD1' HG23 ' A' ' 80' ' ' ILE . 3.4 m-20 -142.34 86.46 1.96 Allowed 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.477 -0.764 . . . . 0.0 111.167 -172.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.712 ' HA ' HG22 ' A' ' 9' ' ' THR . 4.0 tp -70.03 119.43 14.22 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.39 -0.819 . . . . 0.0 110.871 -175.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.557 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 24.4 mttm -116.48 174.45 6.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 123.221 1.486 . . . . 0.0 111.864 -173.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' ' 12' ' ' ALA . 5.9 mm -134.57 143.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.762 170.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -118.47 141.24 48.76 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.794 1.283 . . . . 0.0 111.8 -170.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -103.37 58.83 0.75 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 125.164 2.411 . . . . 0.0 110.242 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.139 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.983 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.674 ' H82' ' HE2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MAN . . . . . 0.578 ' O2 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.746 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 9.6 ttmt . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.915 0.864 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.746 ' N ' ' HG2' ' A' ' 1' ' ' LYS . 10.0 tp10 -98.7 140.68 32.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.913 0.863 . . . . 0.0 111.07 175.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.9 128.78 75.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.821 0.82 . . . . 0.0 110.886 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.5 p -161.6 177.44 10.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.898 1.332 . . . . 0.0 111.572 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.25 42.25 3.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 123.056 1.408 . . . . 0.0 110.301 173.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.04 175.72 5.38 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.183 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.773 HD12 ' CE2' ' A' ' 98' ' ' PHE . 11.6 mt -106.16 104.71 14.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.865 0.84 . . . . 0.0 110.938 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.34 110.15 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.636 0.731 . . . . 0.0 111.123 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.901 HG21 HD22 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -115.14 128.98 56.54 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 179.141 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -123.39 149.72 44.62 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 121.646 -0.659 . . . . 0.0 110.881 -173.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.06 -175.78 31.42 Favored Glycine 0 C--O 1.239 0.433 0 CA-C-O 122.796 1.22 . . . . 0.0 112.367 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -115.18 170.65 8.21 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 121.671 -0.899 . . . . 0.0 110.744 173.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.799 ' CD1' HG21 ' A' ' 102' ' ' ILE . 5.1 mp -80.01 132.5 36.01 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.25 1.024 . . . . 0.0 112.378 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 37.34 23.74 Favored Glycine 0 N--CA 1.468 0.776 0 CA-C-O 123.32 1.511 . . . . 0.0 109.381 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.593 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 6.1 tt0 -131.74 132.09 43.56 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.756 1.265 . . . . 0.0 113.106 -170.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.55 134.53 36.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.899 176.295 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.871 ' CG2' HD21 ' A' ' 100' ' ' LEU . 5.9 tp -139.59 156.58 26.42 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 CA-C-O 121.333 0.587 . . . . 0.0 110.698 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.815 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.5 m120 -116.54 -179.27 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.626 1.679 . . . . 0.0 112.465 -172.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.88 HD13 ' CZ3' ' A' ' 35' ' ' TRP . 30.0 mt -139.39 127.52 22.47 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.742 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -119.51 116.77 26.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.898 1.332 . . . . 0.0 111.958 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.555 ' CG1' ' HD2' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -78.8 151.05 76.34 Favored Pre-proline 0 C--O 1.24 0.554 0 CA-C-O 122.029 0.919 . . . . 0.0 111.546 175.162 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.555 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 36.6 Cg_exo -46.3 -174.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.351 1 C-N-CA 127.158 5.238 . . . . 0.0 115.487 174.306 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -89.37 30.8 0.95 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.364 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.764 ' O ' HD22 ' A' ' 94' ' ' LEU . 8.2 m-30 -128.06 83.46 2.16 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 121.445 -0.784 . . . . 0.0 110.217 172.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 170.83 9.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.47 1.128 . . . . 0.0 111.639 -172.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.441 ' HB3' ' CG2' ' A' ' 30' ' ' ILE . 3.3 ptp -57.62 155.03 10.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.049 0.928 . . . . 0.0 111.069 -175.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -173.57 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 123.027 1.394 . . . . 0.0 110.892 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.68 -70.06 0.31 Allowed 'General case' 0 C--O 1.247 0.972 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.652 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -139.22 23.97 2.53 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 121.043 -1.035 . . . . 0.0 112.353 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 26' ' ' MET . 0.5 OUTLIER -79.15 133.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 121.052 -1.03 . . . . 0.0 110.555 173.623 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.95 -26.67 2.87 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -172.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.452 ' O ' HG22 ' A' ' 85' ' ' ILE . 3.6 t70 -105.5 140.01 39.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 120.752 -1.218 . . . . 0.0 111.304 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.96 HG23 ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -132.97 151.59 34.53 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.723 173.756 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 46' ' ' GLN . 4.8 ttpt -153.12 148.69 27.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 123.517 1.627 . . . . 0.0 112.131 173.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.88 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 48.9 m95 -144.78 109.1 4.84 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.059 174.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.565 ' OE2' ' HG2' ' A' ' 41' ' ' LYS . 3.8 tt0 -104.58 156.12 18.24 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.252 0.549 . . . . 0.0 110.791 -173.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.683 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 9.8 ttpt -88.97 83.92 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.365 0.602 . . . . 0.0 109.396 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.585 HG23 ' CA ' ' A' ' 81' ' ' TYR . 18.7 p -48.01 -23.65 0.86 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -169.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -47.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.264 -0.898 . . . . 0.0 111.74 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.19 24.35 12.98 Favored 'General case' 0 C--O 1.249 1.043 0 O-C-N 121.813 -0.555 . . . . 0.0 111.931 174.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 2.5 ttmt 53.4 60.56 3.64 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.257 -0.902 . . . . 0.0 110.838 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.683 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 10.5 mmmt -128.73 105.58 8.36 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.624 1.202 . . . . 0.0 112.777 -173.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 128.94 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.938 1.351 . . . . 0.0 111.772 -175.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.1 pt -116.26 -29.6 2.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.441 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.061 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -156.59 127.99 7.06 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 121.42 -0.8 . . . . 0.0 110.516 -173.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -169.18 151.4 4.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.736 1.731 . . . . 0.0 113.282 -176.652 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 3.4 m-85 -121.61 110.57 16.16 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.451 172.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -135.52 108.75 7.76 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.371 -0.831 . . . . 0.0 111.185 -173.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.77 149.55 0.06 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.022 0.915 . . . . 0.0 110.695 -174.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.24 34.76 0.86 Allowed 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.699 173.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -113.09 -9.44 13.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 169.97 116.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.96 -174.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.499 HG21 ' CD2' ' A' ' 47' ' ' PHE . 77.8 p -116.99 172.6 7.15 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.879 0.847 . . . . 0.0 111.211 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' C ' ' HD1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -122.16 99.52 6.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.649 0.738 . . . . 0.0 110.946 -173.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -159.58 44.93 0.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.782 0.801 . . . . 0.0 111.046 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.53 24.07 2.4 Favored 'General case' 0 C--O 1.253 1.286 0 O-C-N 121.886 -0.509 . . . . 0.0 112.324 -172.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -165.28 132.1 2.87 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 120.916 -1.115 . . . . 0.0 111.221 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -33.11 74.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 70' ' ' ILE . 38.3 m -56.37 -13.93 2.57 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.96 -169.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 70' ' ' ILE . 27.1 m-85 -148.95 84.42 1.46 Allowed 'General case' 0 C--O 1.253 1.254 0 O-C-N 121.202 -0.936 . . . . 0.0 110.592 172.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.49 154.6 29.03 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 120.774 -1.204 . . . . 0.0 112.231 -172.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.061 ' CD1' ' HB1' ' A' ' 45' ' ' ALA . 7.7 mp -93.23 177.65 5.98 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.831 0.824 . . . . 0.0 111.174 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 2.8 m-85 -138.91 174.59 10.36 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.986 0.898 . . . . 0.0 110.975 172.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -64.12 -39.03 93.17 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.419 -0.8 . . . . 0.0 110.983 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -89.3 19.56 4.31 Favored 'General case' 0 C--O 1.252 1.227 0 O-C-N 121.967 -0.458 . . . . 0.0 111.969 -175.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' HA3' HG21 ' A' ' 21' ' ' ILE . . . 77.49 18.44 77.77 Favored Glycine 0 C--O 1.251 1.167 0 O-C-N 120.859 -1.15 . . . . 0.0 112.66 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' LEU . 1.2 m -88.61 161.98 16.61 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.017 -1.284 . . . . 0.0 111.11 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.815 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.3 tt -127.23 148.72 50.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.826 . . . . 0.0 111.093 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.659 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -134.0 136.21 43.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.594 0.712 . . . . 0.0 110.908 -176.636 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 59' ' ' THR . 1.3 mt -126.97 117.64 48.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.522 0.677 . . . . 0.0 110.456 -173.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.5 mtpm? -86.97 132.32 33.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.505 1.145 . . . . 0.0 113.465 -172.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 55.24 92.81 0.03 OUTLIER 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.374 171.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.837 ' HB2' ' HB3' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -141.89 124.96 16.26 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 124.526 2.108 . . . . 0.0 115.751 -173.172 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.621 ' O ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -112.68 -162.09 0.78 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 120.303 -1.498 . . . . 0.0 111.197 172.288 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.438 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.8 m -46.17 -28.93 1.37 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.228 1.013 . . . . 0.0 112.798 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.58 -39.56 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.377 -176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.837 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 20.0 m-20 -80.13 -11.25 59.77 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.885 -0.509 . . . . 0.0 112.298 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -84.58 111.83 19.88 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.77 -1.206 . . . . 0.0 110.946 -172.293 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -138.37 165.51 26.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.668 1.223 . . . . 0.0 111.761 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.716 HG12 ' OD1' ' A' ' 99' ' ' ASP . 6.9 mt -86.81 139.98 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.696 175.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.585 ' CA ' HG23 ' A' ' 38' ' ' THR . 20.4 m-85 -134.82 162.49 32.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.976 0.894 . . . . 0.0 111.01 -172.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -152.95 130.68 11.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.889 0.852 . . . . 0.0 110.818 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.939 HG22 HD11 ' A' ' 85' ' ' ILE . 10.4 p -100.69 121.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.648 1.213 . . . . 0.0 110.971 -173.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 p -119.86 114.44 22.1 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.177 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.96 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -125.33 117.97 51.26 Favored 'Isoleucine or valine' 0 C--O 1.252 1.199 0 O-C-N 121.932 -0.48 . . . . 0.0 109.847 -172.449 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.416 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -112.59 170.63 8.05 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 120.638 -1.289 . . . . 0.0 111.953 -167.399 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 4.7 p30 -84.83 -170.5 3.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.88 0.848 . . . . 0.0 110.934 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -26.16 62.52 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 121.771 -0.581 . . . . 0.0 112.319 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.98 2.53 55.03 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.963 -1.086 . . . . 0.0 112.895 -172.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.69 17.64 79.7 Favored Glycine 0 C--O 1.248 1.026 0 O-C-N 120.623 -1.298 . . . . 0.0 112.979 -174.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.3 mmtt -90.5 121.98 32.93 Favored 'General case' 0 C--O 1.245 0.867 0 O-C-N 121.082 -1.246 . . . . 0.0 111.353 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' CA ' ' HD2' ' A' ' 86' ' ' TYR . 6.2 p-10 -62.25 98.9 0.12 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.241 1.019 . . . . 0.0 110.831 173.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 91' ' ' LYS . 3.0 m -92.94 -17.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.865 0.84 . . . . 0.0 112.627 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -161.67 144.73 12.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.89 1.329 . . . . 0.0 110.98 173.389 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -138.21 160.16 40.17 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.57 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HD2' ' CG ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -171.03 139.62 1.42 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.905 0.86 . . . . 0.0 110.988 176.512 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -93.6 155.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.404 1.097 . . . . 0.0 111.193 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.921 ' HE1' HG12 ' A' ' 83' ' ' VAL . 28.0 m-85 -143.68 171.6 13.96 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.003 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.716 ' OD1' HG12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -163.82 102.84 0.9 Allowed 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.957 -1.089 . . . . 0.0 111.273 -172.795 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.901 HD22 HG21 ' A' ' 9' ' ' THR . 0.1 OUTLIER -72.36 128.83 36.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.269 1.033 . . . . 0.0 110.835 173.644 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -125.73 171.38 10.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.88 1.324 . . . . 0.0 111.298 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.799 HG21 ' CD1' ' A' ' 13' ' ' LEU . 4.5 mm -127.96 147.61 32.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.06 171.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -134.41 151.26 51.08 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.683 1.23 . . . . 0.0 112.075 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -144.51 60.05 1.33 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 123.259 1.504 . . . . 0.0 111.172 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 . . . . . 0 C--O 1.27 2.152 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.993 174.796 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.825 ' H83' ' H3 ' ' A' ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MAN . . . . . 0.825 ' H3 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.524 ' HB2' ' HE2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.573 0 CA-C-O 121.967 0.889 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.52 165.96 10.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.913 0.863 . . . . 0.0 110.972 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 mp -143.42 165.77 14.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.939 0.876 . . . . 0.0 111.047 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -142.33 173.66 11.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.08 0.943 . . . . 0.0 111.116 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -146.04 47.48 1.23 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.151 0.977 . . . . 0.0 110.884 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.72 173.73 7.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.688 1.232 . . . . 0.0 111.171 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.698 HD12 ' CE2' ' A' ' 98' ' ' PHE . 8.0 mt -115.83 99.28 7.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.03 -173.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -54.92 99.9 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.937 0.875 . . . . 0.0 111.073 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.17 160.55 14.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.693 0.759 . . . . 0.0 110.826 -174.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -145.73 154.92 42.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.928 0.87 . . . . 0.0 111.454 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.4 -174.66 30.48 Favored Glycine 0 C--O 1.239 0.464 0 CA-C-O 122.493 1.052 . . . . 0.0 111.5 173.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.32 155.78 39.71 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.812 -0.817 . . . . 0.0 110.09 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.852 HD22 HG21 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -87.67 149.34 24.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 124.801 2.239 . . . . 0.0 113.61 -171.774 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.5 42.17 Favored Glycine 0 N--CA 1.464 0.528 0 CA-C-N 113.06 -1.882 . . . . 0.0 108.791 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -162.89 147.34 11.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 125.231 2.443 . . . . 0.0 116.999 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -80.1 144.15 33.35 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.585 -173.638 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.45 HD12 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -159.36 148.18 7.17 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 CA-C-O 121.357 0.599 . . . . 0.0 110.684 173.318 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.48 161.71 13.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.908 1.337 . . . . 0.0 112.2 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.085 HD13 HD23 ' A' ' 68' ' ' LEU . 1.4 mp -104.84 104.39 14.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 123.3 1.524 . . . . 0.0 109.652 172.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.89 109.08 20.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.846 1.308 . . . . 0.0 111.636 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.915 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -70.08 165.56 41.94 Favored Pre-proline 0 C--O 1.24 0.561 0 CA-C-O 122.138 0.97 . . . . 0.0 111.605 177.19 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.915 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 22.6 Cg_exo -44.79 -174.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.343 1 C-N-CA 127.375 5.384 . . . . 0.0 116.072 174.442 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -87.25 29.59 0.84 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.324 -1.307 . . . . 0.0 112.702 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -84.08 140.95 31.48 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 121.601 -0.687 . . . . 0.0 109.964 171.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -129.94 108.32 10.03 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.118 -0.989 . . . . 0.0 112.117 -172.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.791 ' HE1' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -76.12 170.17 16.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.568 0.699 . . . . 0.0 110.705 172.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -156.49 -111.51 0.03 OUTLIER 'General case' 0 C--O 1.246 0.897 0 O-C-N 121.61 -0.681 . . . . 0.0 110.933 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -84.07 -51.87 6.75 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.466 -0.771 . . . . 0.0 112.521 -172.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 88' ' ' THR . 4.8 m-20 -68.64 -18.18 64.25 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 121.176 -0.953 . . . . 0.0 113.411 -172.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -87.98 128.64 40.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.384 -0.822 . . . . 0.0 110.881 -176.485 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -31.75 3.27 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -101.82 138.56 38.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.656 1.217 . . . . 0.0 110.848 -172.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.905 HG23 ' CG2' ' A' ' 85' ' ' ILE . 3.3 mt -143.66 147.69 19.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.034 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.502 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -155.88 140.63 17.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 123.545 1.64 . . . . 0.0 112.737 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.958 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 m95 -138.79 126.16 21.68 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.36 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -121.48 168.51 11.63 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.566 0.698 . . . . 0.0 110.707 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -95.4 84.21 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.727 HG23 ' C ' ' A' ' 81' ' ' TYR . 42.0 p -33.51 -45.59 0.17 Allowed 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -170.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -55.92 -59.32 5.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.671 0.748 . . . . 0.0 111.201 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.62 4.42 51.95 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.85 57.91 6.02 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.254 -173.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -119.6 99.75 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 123.011 1.386 . . . . 0.0 112.471 -172.654 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -43.31 127.79 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.7 1.238 . . . . 0.0 112.013 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.745 HD12 ' CD2' ' A' ' 60' ' ' TYR . 32.8 pt -127.64 -32.07 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.077 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.885 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -157.52 135.14 10.59 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 121.116 -0.99 . . . . 0.0 110.477 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.33 146.64 3.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 123.84 1.781 . . . . 0.0 113.444 -178.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.61 120.14 38.42 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.333 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -142.21 84.72 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.406 -0.809 . . . . 0.0 110.999 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.58 150.67 0.09 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.228 1.013 . . . . 0.0 110.199 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.04 37.95 0.79 Allowed 'General case' 0 C--O 1.251 1.159 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.448 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -118.78 -5.03 10.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 178.6 121.25 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.004 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.07 152.81 43.84 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.667 0.746 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' HE1' ' O ' ' A' ' 44' ' ' ILE . 45.6 t80 -105.09 106.62 17.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.072 0.939 . . . . 0.0 111.356 -175.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -164.19 61.04 0.15 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.041 0.924 . . . . 0.0 110.797 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -32.32 73.68 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.8 -172.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.723 ' CG ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -153.64 162.62 41.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.083 0.944 . . . . 0.0 111.362 176.258 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.8 -3.4 38.13 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.515 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.732 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.4 t -57.94 -21.98 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.119 -0.988 . . . . 0.0 110.593 173.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.874 ' HE2' ' HE2' ' A' ' 81' ' ' TYR . 69.0 m-85 -150.45 83.83 1.36 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 121.561 -0.712 . . . . 0.0 111.039 171.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -104.54 144.46 31.66 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.309 -0.869 . . . . 0.0 111.157 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.708 HD12 ' H ' ' A' ' 63' ' ' PHE . 2.9 tp -100.27 144.07 29.72 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 123.077 0.551 . . . . 0.0 110.805 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.708 ' H ' HD12 ' A' ' 62' ' ' LEU . 2.8 m-30 -115.48 168.59 9.86 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.254 -0.903 . . . . 0.0 111.283 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.82 -34.38 78.23 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.773 0.797 . . . . 0.0 111.171 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -88.14 20.88 2.98 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 121.843 -0.535 . . . . 0.0 112.145 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.95 16.13 78.34 Favored Glycine 0 C--O 1.253 1.331 0 O-C-N 120.968 -1.083 . . . . 0.0 112.539 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.36 153.19 20.62 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 120.757 -1.437 . . . . 0.0 111.005 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -132.25 111.42 11.38 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.559 -0.713 . . . . 0.0 111.301 178.082 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -93.26 136.45 33.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.623 1.201 . . . . 0.0 110.877 -174.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.898 HD11 HD11 ' A' ' 19' ' ' LEU . 5.3 mt -120.02 113.76 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.71 0.767 . . . . 0.0 109.686 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.4 OUTLIER -86.52 119.45 26.79 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -169.106 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.525 ' O ' HD23 ' A' ' 73' ' ' LEU . 34.2 t60 49.97 86.79 0.03 OUTLIER 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.382 1.073 . . . . 0.0 112.863 170.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.939 ' HB2' ' HB2' ' A' ' 77' ' ' ASP . 35.5 mt -157.78 167.47 29.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 125.339 2.495 . . . . 0.0 113.8 177.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.615 ' CB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -114.12 -134.86 0.35 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.271 1.828 . . . . 0.0 113.772 -169.79 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.0 m -61.27 -25.27 66.98 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.805 1.288 . . . . 0.0 110.64 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -69.12 -31.58 70.37 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 122.82 1.295 . . . . 0.0 110.77 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.939 ' HB2' ' HB2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -69.36 -23.47 63.76 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.921 173.075 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.809 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 3.3 tt0 -82.65 89.48 6.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.412 1.101 . . . . 0.0 110.96 -175.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.65 173.32 8.17 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 122.33 1.062 . . . . 0.0 110.887 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.676 HG23 ' OD2' ' A' ' 99' ' ' ASP . 1.2 mp -97.55 133.28 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.884 0.85 . . . . 0.0 110.368 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.874 ' HE2' ' HE2' ' A' ' 60' ' ' TYR . 32.2 m-85 -127.67 165.95 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.682 1.23 . . . . 0.0 111.968 -171.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 10.3 ttmt -148.69 135.12 19.52 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.542 172.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.94 HG22 HD11 ' A' ' 85' ' ' ILE . 3.6 p -109.75 110.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.969 1.366 . . . . 0.0 110.838 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -116.28 123.06 46.75 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.216 179.455 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.94 HD11 HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -140.26 118.23 10.35 Favored 'Isoleucine or valine' 0 C--O 1.256 1.404 0 O-C-N 121.8 -0.562 . . . . 0.0 110.179 -172.061 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.558 ' HD1' ' C ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -126.24 166.32 17.32 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 120.284 -1.51 . . . . 0.0 110.521 -167.79 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -81.14 -171.38 3.21 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 -174.806 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 29' ' ' ASP . 6.5 p -54.66 -40.6 69.22 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 121.452 -0.78 . . . . 0.0 111.687 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -91.43 29.06 1.54 Allowed 'General case' 0 C--O 1.248 1.022 0 O-C-N 121.546 -0.721 . . . . 0.0 112.274 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.72 23.01 62.61 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 121.139 -0.976 . . . . 0.0 111.972 173.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -90.63 103.68 16.35 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.367 -1.078 . . . . 0.0 111.514 -177.613 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.25 99.8 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.005 0.907 . . . . 0.0 110.99 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 91' ' ' LYS . 35.4 m -86.5 -28.76 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.608 1.194 . . . . 0.0 111.851 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.74 HD21 HD11 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -155.79 142.99 19.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.849 1.309 . . . . 0.0 111.636 175.482 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -146.32 134.26 21.37 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.833 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.699 ' CD ' ' HG2' ' A' ' 22' ' ' PRO . 21.6 mttt -148.76 165.78 30.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.499 0.666 . . . . 0.0 110.721 -174.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -120.79 157.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -173.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.698 ' CE2' HD12 ' A' ' 7' ' ' LEU . 7.5 m-85 -146.07 167.53 23.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.848 0.833 . . . . 0.0 111.397 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.676 ' OD2' HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -159.33 95.76 1.26 Allowed 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.349 0.595 . . . . 0.0 111.024 175.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -67.22 151.06 48.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.92 0.867 . . . . 0.0 111.465 176.852 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.809 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 74.8 mttt -145.6 167.93 21.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.679 1.228 . . . . 0.0 111.94 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.852 HG21 HD22 ' A' ' 13' ' ' LEU . 8.7 mm -123.79 138.28 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 122.564 1.173 . . . . 0.0 109.508 171.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -99.76 147.79 25.08 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 122.81 1.291 . . . . 0.0 112.384 -171.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.05 88.44 0.03 OUTLIER 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.543 1.163 . . . . 0.0 110.932 175.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.27 2.174 0 CA-C-O 121.95 0.881 . . . . 0.0 111.121 -175.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' NAG . . . . . 0.42 ' H5 ' ' CD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.571 0 CA-C-O 121.938 0.875 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -129.3 107.91 9.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.836 0.827 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mt -122.09 121.4 63.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.953 0.882 . . . . 0.0 110.977 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.1 p -133.75 170.95 14.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.0 0.905 . . . . 0.0 111.054 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -155.61 49.03 0.53 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.837 0.827 . . . . 0.0 110.946 174.161 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.28 173.28 12.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.886 1.327 . . . . 0.0 111.632 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.002 HD12 ' CE2' ' A' ' 98' ' ' PHE . 28.2 mt -120.11 118.13 29.76 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 122.292 1.044 . . . . 0.0 110.873 -177.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.11 92.46 0.18 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.877 0.846 . . . . 0.0 110.903 173.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.523 ' HB ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -111.8 128.87 56.24 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 121.265 0.555 . . . . 0.0 110.36 -174.857 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CZ2' ' HD2' ' A' ' 101' ' ' LYS . 85.8 m95 -129.93 164.64 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.442 1.115 . . . . 0.0 112.549 -171.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.51 166.52 35.4 Favored Glycine 0 C--O 1.239 0.461 0 CA-C-O 122.189 0.883 . . . . 0.0 111.717 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.772 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -104.58 161.66 13.93 Favored 'General case' 0 C--O 1.253 1.264 0 O-C-N 121.722 -0.87 . . . . 0.0 110.48 172.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.77 ' CD1' HG21 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -74.31 126.34 30.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.935 1.35 . . . . 0.0 111.849 -172.81 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 36.34 28.89 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.772 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 39.6 tt0 -138.02 131.02 30.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 123.046 1.403 . . . . 0.0 112.584 -170.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -84.02 129.04 34.93 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.103 -173.699 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.528 ' CG2' HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -133.39 158.02 42.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.774 0.797 . . . . 0.0 110.736 -178.24 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.414 ' N ' HG13 ' A' ' 17' ' ' ILE . 80.4 m-20 -115.27 137.37 52.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.083 0.944 . . . . 0.0 112.085 -173.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.063 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 1.9 mm? -81.61 111.46 17.92 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.817 171.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -100.18 111.03 23.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.894 1.33 . . . . 0.0 112.367 -170.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.814 ' CD1' HG13 ' A' ' 85' ' ' ILE . 8.9 tt -70.21 155.57 93.23 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.403 171.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.807 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 28.6 Cg_exo -45.5 -177.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.437 1 C-N-CA 126.875 5.05 . . . . 0.0 115.643 176.39 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.2 p -88.94 30.66 0.91 Allowed 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.257 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -105.87 124.73 50.05 Favored 'General case' 0 C--O 1.247 0.956 0 O-C-N 121.617 -0.677 . . . . 0.0 109.946 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.25 148.19 44.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.603 1.192 . . . . 0.0 111.358 -171.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.629 ' HB3' HG21 ' A' ' 30' ' ' ILE . 5.2 ptm -84.4 171.76 12.34 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 122.017 0.913 . . . . 0.0 111.057 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.9 p -157.7 -118.05 0.02 OUTLIER 'General case' 0 C--O 1.251 1.173 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.182 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.54 -14.58 51.92 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.984 -1.073 . . . . 0.0 112.366 -173.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 88' ' ' THR . 54.5 m-20 -101.04 -24.6 14.28 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.763 -1.211 . . . . 0.0 113.256 -173.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.629 HG21 ' HB3' ' A' ' 26' ' ' MET . 1.3 mt -86.79 145.48 7.58 Favored 'Isoleucine or valine' 0 C--O 1.247 0.965 0 O-C-N 121.76 -0.587 . . . . 0.0 110.755 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.37 -38.68 1.18 Allowed 'General case' 0 C--O 1.258 1.504 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 85' ' ' ILE . 4.6 t70 -105.98 145.99 30.64 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 120.567 -1.333 . . . . 0.0 112.094 -171.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.964 ' HA ' HG23 ' A' ' 85' ' ' ILE . 17.2 mt -143.5 102.03 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.441 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 8.3 mmmt -114.32 149.29 36.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.233 1.492 . . . . 0.0 112.229 -173.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 1.063 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 37.6 m95 -141.72 129.91 22.19 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.288 172.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.82 168.56 11.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.807 0.813 . . . . 0.0 111.656 -173.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -97.08 108.49 21.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.395 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 1.086 ' CG2' HG22 ' A' ' 80' ' ' ILE . 5.0 p -46.9 -49.96 19.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.802 0.81 . . . . 0.0 112.186 -171.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 t -52.58 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.827 . . . . 0.0 111.59 -173.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.92 3.36 14.75 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 41' ' ' LYS . 4.4 mtpt 56.32 67.13 1.04 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.012 1.387 . . . . 0.0 110.24 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.65 104.55 6.41 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.615 -1.175 . . . . 0.0 113.486 -172.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -41.11 150.53 0.08 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.174 0.988 . . . . 0.0 112.295 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 60' ' ' TYR . 4.8 pt -147.88 -48.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.886 0.851 . . . . 0.0 111.036 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.854 ' HB1' ' HG ' ' A' ' 62' ' ' LEU . . . -129.55 125.19 35.69 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -154.72 142.77 20.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.74 1.733 . . . . 0.0 113.158 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' HD1' HD12 ' A' ' 62' ' ' LEU . 2.0 m-85 -125.89 123.5 38.77 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.396 172.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.77 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -141.77 116.29 9.62 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 121.318 -0.864 . . . . 0.0 111.527 -173.076 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.26 159.87 0.18 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.901 . . . . 0.0 109.58 -176.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.547 ' C ' ' HG2' ' A' ' 51' ' ' LYS . 8.6 pt-20 -71.53 7.57 1.38 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.789 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 1.4 mmtp -159.99 122.1 3.31 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.279 1.032 . . . . 0.0 109.684 168.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.789 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER 143.66 76.27 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.963 1.305 . . . . 0.0 109.772 -169.609 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -103.77 139.15 39.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.839 1.304 . . . . 0.0 113.174 -171.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -128.82 85.67 2.35 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.909 171.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 15.73 0.47 Allowed 'General case' 0 C--O 1.261 1.703 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -170.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.2 72.48 7.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 120.535 1.516 . . . . 0.0 111.291 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.676 ' CG ' HG22 ' A' ' 59' ' ' THR . 0.6 OUTLIER 179.68 108.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.719 -0.613 . . . . 0.0 110.892 -174.41 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.14 0.972 . . . . 0.0 112.096 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.73 HG23 ' HD1' ' A' ' 60' ' ' TYR . 14.6 t -60.51 -15.25 25.34 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.626 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.872 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 68.2 m-85 -150.57 90.86 1.68 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.225 -0.922 . . . . 0.0 111.221 171.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -101.1 161.18 13.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.665 1.221 . . . . 0.0 111.629 -174.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.854 ' HG ' ' HB1' ' A' ' 45' ' ' ALA . 12.3 mt -107.57 151.68 25.28 Favored 'General case' 0 C--O 1.252 1.209 0 C-N-CA 123.779 0.832 . . . . 0.0 110.6 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.757 ' CD2' HG22 ' A' ' 67' ' ' THR . 22.6 m-30 -130.84 170.81 13.91 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.914 -1.116 . . . . 0.0 111.451 174.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -54.52 24.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.034 0.921 . . . . 0.0 111.18 -175.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -53.27 -21.57 5.67 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.928 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.19 24.76 10.04 Favored Glycine 0 C--O 1.245 0.806 0 O-C-N 121.099 -1.0 . . . . 0.0 111.851 -173.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.757 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.3 148.52 22.82 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.39 -1.064 . . . . 0.0 110.956 173.488 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.97 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 6.7 tp -105.84 154.86 19.94 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.301 0.572 . . . . 0.0 110.609 173.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -133.85 124.51 26.62 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.522 -0.736 . . . . 0.0 110.968 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.649 HD11 HD23 ' A' ' 19' ' ' LEU . 4.4 mt -117.97 110.56 31.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.154 0.978 . . . . 0.0 110.483 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.9 tttm -81.04 141.18 34.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 123.058 1.408 . . . . 0.0 113.426 -172.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 49.57 79.17 0.08 Allowed 'General case' 0 C--O 1.25 1.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.444 172.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -122.2 119.07 30.17 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.098 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -107.21 -162.79 0.86 Allowed 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.882 1.273 . . . . 0.0 110.518 169.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.458 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.6 m -49.76 -27.21 4.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.204 1.002 . . . . 0.0 112.477 176.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -38.38 49.97 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.389 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.847 ' HB3' HD12 ' A' ' 73' ' ' LEU . 1.5 m-20 -77.61 -12.47 59.97 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.378 -0.826 . . . . 0.0 112.01 174.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.475 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -74.52 102.97 4.68 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.772 -1.205 . . . . 0.0 110.91 -176.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.2 176.06 8.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.335 1.064 . . . . 0.0 111.098 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.086 HG22 ' CG2' ' A' ' 38' ' ' THR . 31.9 mt -101.26 142.59 15.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.54 0.686 . . . . 0.0 110.137 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.95 ' HE2' ' HB2' ' A' ' 100' ' ' LEU . 33.5 m-85 -137.26 170.96 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.954 0.883 . . . . 0.0 111.426 -171.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.814 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 24.7 ttpt -156.37 155.36 32.05 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 173.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.09 HG12 ' HE1' ' A' ' 98' ' ' PHE . 12.0 p -129.31 128.85 66.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.587 1.184 . . . . 0.0 111.227 -174.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.587 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 35.0 p -133.56 103.66 6.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.899 0.857 . . . . 0.0 110.296 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.964 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -112.69 113.97 45.66 Favored 'Isoleucine or valine' 0 C--O 1.25 1.129 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.207 -172.521 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.784 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -109.62 167.48 10.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.103 1.43 . . . . 0.0 112.505 -169.325 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.618 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 14.9 p-10 -86.02 -165.23 1.19 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.463 1.125 . . . . 0.0 110.933 177.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 29' ' ' ASP . 60.0 p -62.59 -33.11 74.32 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.502 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -90.83 23.01 3.3 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 121.474 -0.766 . . . . 0.0 112.22 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.65 54.24 Favored Glycine 0 C--O 1.249 1.065 0 O-C-N 121.056 -1.027 . . . . 0.0 111.76 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.618 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 3.4 mtpp -86.06 113.59 22.25 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.161 -1.199 . . . . 0.0 110.987 -177.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.784 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 22.9 p-10 -61.1 91.62 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.712 1.244 . . . . 0.0 110.771 175.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 30' ' ' ILE . 17.3 m -69.6 -33.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 122.849 1.309 . . . . 0.0 110.835 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.418 HD21 ' HG2' ' A' ' 22' ' ' PRO . 12.3 tp -149.44 145.6 27.01 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 123.13 1.443 . . . . 0.0 111.446 173.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -138.01 155.73 48.54 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.542 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.814 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 tptt -167.47 154.27 8.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.414 1.102 . . . . 0.0 111.391 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 5' ' ' ASN . 1.5 mt -112.91 141.3 28.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.803 -174.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 1.09 ' HE1' HG12 ' A' ' 83' ' ' VAL . 11.2 m-85 -128.66 163.02 25.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.025 0.917 . . . . 0.0 111.414 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.14 108.02 3.36 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.741 0.781 . . . . 0.0 110.88 173.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.95 ' HB2' ' HE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -72.53 149.09 44.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.871 0.843 . . . . 0.0 110.857 178.602 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HD2' ' CZ2' ' A' ' 10' ' ' TRP . 2.5 mttp -139.85 163.54 32.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.762 1.268 . . . . 0.0 112.053 -173.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.77 HG21 ' CD1' ' A' ' 13' ' ' LEU . 27.6 mm -124.22 145.72 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.307 169.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.599 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -125.55 158.37 34.75 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.203 1.002 . . . . 0.0 111.347 -171.668 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.599 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -157.59 81.14 0.88 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 123.253 1.501 . . . . 0.0 110.67 -173.206 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 . . . . . 0 C--O 1.27 2.165 0 CA-C-N 114.805 -1.088 . . . . 0.0 111.009 -175.334 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 106' ' ' NAG . . . . . 0.406 ' H61' ' N2 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' NAG . . . . . 0.406 ' N2 ' ' H61' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.239 0.528 0 CA-C-O 122.844 1.307 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.58 174.37 7.31 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 123.067 1.413 . . . . 0.0 112.164 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.906 HD12 ' CE2' ' A' ' 98' ' ' PHE . 13.2 mt -107.06 111.9 24.57 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.42 1.105 . . . . 0.0 110.983 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.78 91.61 0.01 OUTLIER 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.925 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.834 HG22 ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -99.01 137.36 37.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.769 0.795 . . . . 0.0 110.55 -173.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -127.64 161.77 28.08 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.063 0.935 . . . . 0.0 111.544 -172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.17 -159.57 9.48 Favored Glycine 0 C--O 1.239 0.441 0 CA-C-O 122.482 1.046 . . . . 0.0 111.548 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -157.58 150.66 23.37 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 121.844 -0.798 . . . . 0.0 110.316 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.957 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.4 mp -65.3 133.76 52.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.764 1.268 . . . . 0.0 111.158 -172.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.89 43.67 10.95 Favored Glycine 0 C--O 1.251 1.197 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.094 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.65 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -132.57 -179.18 5.3 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 123.437 1.589 . . . . 0.0 110.955 -173.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.851 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -136.54 128.64 29.64 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.335 1.064 . . . . 0.0 110.106 172.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 100' ' ' LEU . 7.7 tp -126.62 168.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.986 0.898 . . . . 0.0 112.105 -170.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.457 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -128.55 -177.69 4.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.159 1.457 . . . . 0.0 111.613 -175.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.83 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.9 OUTLIER -140.32 89.67 2.3 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.324 -176.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.91 105.77 17.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 110.454 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.026 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -98.75 -48.12 0.22 Allowed Pre-proline 0 C--O 1.245 0.858 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -171.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 1.026 ' HD3' HG23 ' A' ' 21' ' ' ILE . 86.2 Cg_exo -52.7 113.42 1.23 Allowed 'Trans proline' 0 N--CA 1.529 3.58 1 C-N-CA 126.123 4.549 . . . . 0.0 117.48 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -94.67 16.25 16.13 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.43 1.092 . . . . 0.0 110.945 170.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -167.08 178.29 5.78 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.032 0.92 . . . . 0.0 111.445 -168.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.47 76.69 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.797 1.284 . . . . 0.0 111.868 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.402 ' HG3' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -76.93 161.32 28.48 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.407 172.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 p -167.01 -50.69 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.856 1.312 . . . . 0.0 113.303 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -75.6 -27.27 58.45 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 114.836 -1.075 . . . . 0.0 113.205 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.9 7.55 9.32 Favored 'General case' 0 C--O 1.258 1.536 0 O-C-N 121.036 -1.04 . . . . 0.0 113.18 -171.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.628 HD13 ' N ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -88.67 158.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 120.613 -1.304 . . . . 0.0 111.336 -174.196 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.628 ' N ' HD13 ' A' ' 30' ' ' ILE . 15.5 t70 -133.26 -63.38 0.76 Allowed 'General case' 0 C--O 1.254 1.338 0 O-C-N 121.546 -0.721 . . . . 0.0 112.917 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.782 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -105.02 142.22 35.19 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.466 1.603 . . . . 0.0 113.279 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.9 ' HA ' HG23 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -126.2 124.54 66.03 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.273 172.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.748 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 26.4 tttp -130.58 147.11 52.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.195 1.474 . . . . 0.0 112.558 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.83 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 57.1 m95 -142.95 127.19 17.59 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.348 172.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.77 162.49 17.22 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-O 121.166 0.508 . . . . 0.0 110.811 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 2.6 ttmt -96.34 89.02 4.93 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.554 -0.716 . . . . 0.0 109.759 173.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 80' ' ' ILE . 44.1 p -49.77 -28.19 5.91 Favored 'General case' 0 C--O 1.251 1.168 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -169.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -55.83 -47.05 77.9 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.112 -0.992 . . . . 0.0 111.286 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -134.67 30.84 3.42 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.563 -0.711 . . . . 0.0 112.049 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 7.0 pttp 48.17 57.64 5.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.611 1.196 . . . . 0.0 110.481 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.73 108.39 14.36 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 122.633 1.206 . . . . 0.0 112.114 -172.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.07 130.4 6.03 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 122.102 0.953 . . . . 0.0 112.005 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.789 HD12 ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -120.93 -36.03 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.266 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.0 153.48 33.01 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.574 -0.704 . . . . 0.0 110.639 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.748 ' HG3' ' HG3' ' A' ' 34' ' ' LYS . 1.3 tt0 -164.33 158.61 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 123.872 1.796 . . . . 0.0 113.454 173.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HD2' HD13 ' A' ' 62' ' ' LEU . 3.0 m-85 -133.39 129.53 37.5 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.423 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.62 56.77 1.7 Allowed 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.429 -0.794 . . . . 0.0 110.91 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.03 173.7 0.29 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.082 1.42 . . . . 0.0 109.198 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.69 36.87 0.45 Allowed 'General case' 0 C--O 1.25 1.11 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -120.77 -8.53 9.44 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -177.92 85.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.149 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 t -126.71 149.79 49.39 Favored 'General case' 0 C--O 1.265 1.89 0 C-N-CA 123.455 0.702 . . . . 0.0 109.604 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.621 ' HE1' ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -152.4 156.83 40.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 124.546 2.117 . . . . 0.0 114.625 -171.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -161.22 100.6 1.22 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.326 173.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.07 -48.08 22.63 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.777 ' HB2' HG22 ' A' ' 59' ' ' THR . 7.7 mtpt -151.6 176.75 11.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.171 0.986 . . . . 0.0 110.782 -173.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -29.64 70.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.806 0.812 . . . . 0.0 112.193 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.777 HG22 ' HB2' ' A' ' 57' ' ' LYS . 9.0 t -50.79 -21.73 1.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.073 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.789 ' CE2' HD12 ' A' ' 44' ' ' ILE . 35.8 m-85 -147.98 99.31 3.06 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 111.41 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.836 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.1 mtmm -98.86 151.2 21.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.897 0.856 . . . . 0.0 111.734 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.593 HD21 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.51 120.31 38.34 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 123.783 0.833 . . . . 0.0 109.518 172.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 1.096 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 99.1 m-85 -105.49 179.15 4.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 123.385 1.564 . . . . 0.0 113.06 -171.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -72.84 -54.31 9.12 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.168 -175.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 22' ' ' PRO . 24.6 p30 -61.99 -9.01 6.04 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.584 -0.698 . . . . 0.0 111.22 173.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.55 8.69 54.36 Favored Glycine 0 C--O 1.25 1.15 0 O-C-N 120.924 -1.11 . . . . 0.0 112.653 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.555 ' O ' ' HD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.05 153.82 34.03 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 119.326 1.563 . . . . 0.0 110.719 177.408 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 61' ' ' LYS . 9.1 tp -114.57 118.49 33.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.264 1.031 . . . . 0.0 111.232 174.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 1.096 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -90.08 162.93 15.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.969 0.89 . . . . 0.0 111.134 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 59' ' ' THR . 2.4 mt -149.3 123.72 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.248 0.998 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.742 173.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 149.63 21.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.57 -0.706 . . . . 0.0 111.389 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.793 ' C ' HD22 ' A' ' 73' ' ' LEU . 22.2 t60 61.79 110.57 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.425 1.583 . . . . 0.0 110.989 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.066 HD12 HD21 ' A' ' 100' ' ' LEU . 3.0 mm? -135.48 70.16 1.43 Allowed 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -170.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.471 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.6 -171.03 2.38 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.876 0.846 . . . . 0.0 110.454 171.101 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 m -52.76 -28.28 21.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.411 1.101 . . . . 0.0 112.28 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -42.33 47.71 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.219 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.0 10.4 14.27 Favored 'General case' 0 C--O 1.254 1.308 0 O-C-N 121.619 -0.675 . . . . 0.0 112.094 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.7 116.57 28.91 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.794 -1.191 . . . . 0.0 111.072 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -143.04 -172.13 3.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.285 1.04 . . . . 0.0 111.529 -173.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.512 HG22 ' OG1' ' A' ' 38' ' ' THR . 1.9 mp -110.51 143.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.606 1.193 . . . . 0.0 110.115 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.692 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -138.29 167.82 21.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.776 0.798 . . . . 0.0 110.724 -171.027 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.818 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 37.6 tttt -157.45 151.59 24.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.63 0.729 . . . . 0.0 110.605 173.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.051 HG12 ' CE1' ' A' ' 98' ' ' PHE . 11.4 p -124.69 129.35 73.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 122.482 1.134 . . . . 0.0 111.108 -178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.71 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 58.7 p -127.62 106.35 9.1 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.931 173.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.9 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.99 106.64 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 122.207 1.003 . . . . 0.0 110.03 -171.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.71 ' HE1' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -98.8 158.57 15.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.468 1.127 . . . . 0.0 112.62 -167.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.881 ' HB3' HG11 ' A' ' 93' ' ' VAL . 38.6 p-10 -87.97 -164.8 1.16 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 122.144 0.973 . . . . 0.0 110.895 174.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.5 p -73.93 -32.61 63.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.878 0.847 . . . . 0.0 111.056 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.09 -11.46 39.97 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.666 -0.646 . . . . 0.0 112.036 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.54 14.77 79.46 Favored Glycine 0 C--O 1.25 1.147 0 O-C-N 120.794 -1.191 . . . . 0.0 112.354 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -84.8 155.58 21.74 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.893 -1.357 . . . . 0.0 111.487 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -83.89 76.22 10.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.84 0.828 . . . . 0.0 110.345 172.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.881 HG11 ' HB3' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -60.08 -19.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.886 0.851 . . . . 0.0 112.373 -173.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 21' ' ' ILE . 9.1 tp -163.73 141.28 7.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.636 1.208 . . . . 0.0 110.72 172.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.82 145.55 31.68 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.515 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.818 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -161.81 155.93 22.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.183 0.992 . . . . 0.0 111.264 -174.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.3 mt -119.35 136.34 56.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.177 0.989 . . . . 0.0 110.717 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 1.051 ' CE1' HG12 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -126.59 167.05 16.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.835 0.826 . . . . 0.0 111.308 -173.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.39 103.1 1.77 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.049 0.928 . . . . 0.0 110.832 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.066 HD21 HD12 ' A' ' 73' ' ' LEU . 15.9 tp -73.51 135.78 44.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.183 0.992 . . . . 0.0 111.219 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -126.43 169.04 13.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.13 0.967 . . . . 0.0 111.434 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.957 HG21 ' CD1' ' A' ' 13' ' ' LEU . 6.4 mm -122.83 143.84 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.174 0.988 . . . . 0.0 110.142 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 122.571 1.177 . . . . 0.0 111.872 -171.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.522 0 CA-C-O 122.427 1.108 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.5 169.59 11.72 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.029 0.918 . . . . 0.0 111.365 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.903 HD23 ' CD2' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -115.44 108.77 16.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.332 1.063 . . . . 0.0 110.714 -177.148 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 101.51 4.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.031 0.92 . . . . 0.0 110.953 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.824 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -105.51 125.7 51.29 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.944 -175.599 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -122.37 147.74 45.92 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.348 -0.845 . . . . 0.0 111.753 -172.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.7 170.2 36.57 Favored Glycine 0 C--O 1.239 0.466 0 O-C-N 121.202 -0.936 . . . . 0.0 111.941 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.66 156.02 17.91 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 121.679 -0.895 . . . . 0.0 110.087 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.793 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.98 163.31 28.06 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.06 1.41 . . . . 0.0 110.31 -171.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 37.31 28.77 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.115 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 6.6 tt0 -124.14 -174.39 2.99 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 124.208 1.956 . . . . 0.0 112.601 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' H ' ' HG2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -146.18 118.23 8.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.111 170.321 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.573 HG21 HD21 ' A' ' 100' ' ' LEU . 7.3 tp -123.48 165.65 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.781 1.277 . . . . 0.0 112.718 -169.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -122.05 124.37 43.79 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 122.174 0.988 . . . . 0.0 111.714 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.094 HD11 ' CD2' ' A' ' 81' ' ' TYR . 2.9 mt -80.31 102.58 9.62 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.678 0.751 . . . . 0.0 110.339 171.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.39 -155.58 0.39 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.646 0.736 . . . . 0.0 110.969 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.074 HD12 ' HD2' ' A' ' 22' ' ' PRO . 7.0 tp -165.57 154.63 10.81 Favored Pre-proline 0 C--O 1.245 0.83 0 CA-C-O 121.411 0.624 . . . . 0.0 110.954 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 1.074 ' HD2' HD12 ' A' ' 21' ' ' ILE . 8.4 Cg_endo -45.82 179.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.487 1 C-N-CA 127.002 5.135 . . . . 0.0 114.417 173.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 p -88.57 30.85 0.87 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.431 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.38 150.88 22.15 Favored 'General case' 0 C--O 1.246 0.906 0 O-C-N 121.572 -0.705 . . . . 0.0 110.455 172.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -147.96 146.85 29.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.123 0.963 . . . . 0.0 111.342 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.9 ptm -53.12 161.01 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.946 0.879 . . . . 0.0 110.938 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -169.96 -92.48 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.398 1.094 . . . . 0.0 111.157 -173.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -76.36 0.08 Allowed 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.912 -172.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.606 ' O ' HG23 ' A' ' 88' ' ' THR . 67.4 m-20 -138.0 21.89 2.83 Favored 'General case' 0 C--O 1.253 1.272 0 O-C-N 121.053 -1.029 . . . . 0.0 112.764 -172.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -69.28 127.53 31.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 121.052 -1.03 . . . . 0.0 110.459 173.32 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.685 ' CG ' HG22 ' A' ' 88' ' ' THR . 0.1 OUTLIER -134.03 -28.22 1.37 Allowed 'General case' 0 C--O 1.26 1.643 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.45 149.43 32.6 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.549 -1.344 . . . . 0.0 112.002 -171.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.047 HG23 HG23 ' A' ' 85' ' ' ILE . 1.4 mt -133.2 156.97 42.59 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 172.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -150.49 136.01 18.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 123.274 1.512 . . . . 0.0 111.96 173.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.772 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.8 m95 -134.74 130.7 36.62 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.657 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 173.7 11.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.824 0.821 . . . . 0.0 111.105 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -90.76 106.81 18.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 1.133 HG21 HG22 ' A' ' 80' ' ' ILE . 2.2 p -39.04 -53.98 1.74 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -169.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -69.44 -52.22 28.82 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.521 -0.737 . . . . 0.0 112.86 -171.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.791 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 1.3 t0 -99.63 15.8 25.52 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 121.234 -0.916 . . . . 0.0 113.378 -171.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.791 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 8.2 pttt 49.57 58.52 5.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 123.073 1.416 . . . . 0.0 110.196 173.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.67 89.33 3.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.963 1.363 . . . . 0.0 111.86 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -50.02 113.45 0.86 Allowed 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.942 0.877 . . . . 0.0 110.957 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -118.49 -9.39 11.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.867 175.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.928 ' HB1' HD23 ' A' ' 62' ' ' LEU . . . -157.14 131.78 8.68 Favored 'General case' 0 C--O 1.254 1.292 0 O-C-N 120.847 -1.158 . . . . 0.0 110.472 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -159.86 146.45 16.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 123.324 1.535 . . . . 0.0 112.962 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.668 ' CE1' HG22 ' A' ' 53' ' ' THR . 1.6 m-85 -122.09 140.57 52.36 Favored 'General case' 0 C--O 1.244 0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.59 172.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -161.92 113.63 1.7 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.454 -0.778 . . . . 0.0 111.248 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm 66.8 154.44 0.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.738 1.256 . . . . 0.0 110.452 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.54 33.4 0.7 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.073 174.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -7.31 15.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 175.13 160.47 0.22 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.29 -178.343 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.668 HG22 ' CE1' ' A' ' 47' ' ' PHE . 60.9 p -127.56 154.63 44.95 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.721 0.772 . . . . 0.0 111.144 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -112.48 104.72 12.84 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.788 0.804 . . . . 0.0 111.28 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.63 118.16 2.45 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.939 0.876 . . . . 0.0 111.008 174.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -69.45 -53.38 19.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.923 0.868 . . . . 0.0 110.785 177.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.614 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -148.65 169.63 19.94 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.446 0.641 . . . . 0.0 110.643 -175.13 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.05 -18.59 63.3 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.503 -0.748 . . . . 0.0 112.679 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.727 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.3 t -51.71 -23.86 5.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.846 0.831 . . . . 0.0 110.766 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.536 ' CD1' HG12 ' A' ' 70' ' ' ILE . 31.2 m-85 -148.41 83.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.707 0.765 . . . . 0.0 110.812 172.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.603 ' HE2' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -113.86 152.1 31.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.283 1.516 . . . . 0.0 112.028 -172.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.928 HD23 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -98.9 150.42 21.93 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.812 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.603 ' HE1' ' HE2' ' A' ' 61' ' ' LYS . 17.7 m-30 -120.08 158.15 27.46 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 110.5 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -26.59 68.31 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 121.824 -0.547 . . . . 0.0 111.518 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -93.6 25.82 3.33 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.26 -0.9 . . . . 0.0 111.951 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.79 4.2 65.75 Favored Glycine 0 C--O 1.254 1.37 0 O-C-N 121.168 -0.957 . . . . 0.0 112.851 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -90.85 134.57 34.35 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.252 1.526 . . . . 0.0 111.699 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.889 HD23 ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -100.98 150.38 22.95 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.554 171.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.889 ' N ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -131.24 142.7 50.2 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.063 -1.023 . . . . 0.0 110.968 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 59' ' ' THR . 2.8 mt -125.85 117.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.801 0.81 . . . . 0.0 110.658 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -87.7 149.84 23.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.827 -0.546 . . . . 0.0 110.662 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 62.07 117.62 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.802 1.286 . . . . 0.0 110.491 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.687 HD23 HD11 ' A' ' 100' ' ' LEU . 3.3 tm? -143.43 81.34 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.179 -0.951 . . . . 0.0 112.16 -168.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.42 -170.56 1.75 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.755 1.264 . . . . 0.0 110.261 170.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.412 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.8 m -47.87 -28.58 2.7 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.731 171.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.17 -47.63 14.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.789 0.804 . . . . 0.0 111.265 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.84 2.66 22.31 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.8 -0.562 . . . . 0.0 112.115 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.692 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -82.78 113.48 20.45 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.749 -1.219 . . . . 0.0 111.405 175.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -139.28 167.51 21.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.893 0.854 . . . . 0.0 111.195 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.133 HG22 HG21 ' A' ' 38' ' ' THR . 8.1 mt -86.04 148.65 4.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.533 0.682 . . . . 0.0 110.668 173.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 1.094 ' CD2' HD11 ' A' ' 19' ' ' LEU . 46.9 m-85 -141.87 155.95 45.52 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 112.066 -172.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -144.46 128.54 17.59 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.714 177.386 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.011 HG22 ' CD1' ' A' ' 85' ' ' ILE . 4.2 p -108.91 116.34 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.887 1.327 . . . . 0.0 111.717 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -116.03 123.15 47.26 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 123.814 0.846 . . . . 0.0 109.911 172.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.047 HG23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -130.72 117.85 40.08 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -173.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -114.47 -178.97 3.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 123.3 1.524 . . . . 0.0 113.541 -166.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.71 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 1.5 p30 -98.95 -176.99 3.49 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 122.473 1.13 . . . . 0.0 111.091 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.685 HG22 ' CG ' ' A' ' 31' ' ' ASP . 26.3 p -64.34 -32.58 74.24 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.416 -173.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -95.15 39.5 1.11 Allowed 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.062 -1.024 . . . . 0.0 112.713 -171.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.24 32.17 57.03 Favored Glycine 0 C--O 1.24 0.491 0 O-C-N 121.278 -0.889 . . . . 0.0 111.544 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.71 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 4.0 mmtt -87.47 -170.21 2.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.448 1.594 . . . . 0.0 111.454 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 108.74 5.28 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.458 170.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.4 m -98.54 -35.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.452 1.12 . . . . 0.0 112.333 -172.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.984 HD23 HD13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -146.08 147.74 31.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.177 -174.029 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.8 pt-20 -157.67 145.0 18.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.788 0.804 . . . . 0.0 110.886 -174.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.602 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -154.69 167.03 31.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.09 0.948 . . . . 0.0 111.289 -173.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.69 ' C ' ' HD1' ' A' ' 98' ' ' PHE . 3.2 mt -124.99 141.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 122.397 1.094 . . . . 0.0 111.061 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.903 ' CD2' HD23 ' A' ' 7' ' ' LEU . 2.8 m-85 -137.61 176.85 8.34 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.514 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.499 ' OD1' HG12 ' A' ' 80' ' ' ILE . 3.3 t0 -167.32 111.28 0.7 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.144 -0.973 . . . . 0.0 111.407 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.896 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -85.5 120.43 26.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.286 1.041 . . . . 0.0 110.994 176.6 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.692 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 51.0 mttt -121.62 166.58 14.02 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 123.501 1.619 . . . . 0.0 112.574 -173.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.639 HD11 HD13 ' A' ' 73' ' ' LEU . 1.2 mm -134.81 147.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.463 169.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.764 0 CA-C-O 122.547 1.165 . . . . 0.0 111.852 -171.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.237 0.425 0 CA-C-O 123.576 1.655 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.63 174.35 6.12 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.387 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.737 HD23 ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -134.54 110.28 9.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.726 -174.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.22 91.93 0.03 OUTLIER 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.782 0.801 . . . . 0.0 110.887 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.58 118.91 37.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.703 0.763 . . . . 0.0 110.322 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -110.69 158.8 18.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.171 0.986 . . . . 0.0 112.27 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.35 146.07 12.06 Favored Glycine 0 C--O 1.243 0.713 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.652 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . . . -92.76 156.11 17.23 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.654 -0.91 . . . . 0.0 110.602 173.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.725 HD12 ' CG2' ' A' ' 102' ' ' ILE . 2.2 mp -64.95 135.4 55.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.727 1.251 . . . . 0.0 111.365 -173.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.67 37.6 30.0 Favored Glycine 0 C--O 1.26 1.769 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.235 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.701 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -133.19 131.0 39.87 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 119.537 1.669 . . . . 0.0 111.912 -171.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.63 140.12 35.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.867 0.841 . . . . 0.0 110.359 173.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pt -142.36 -179.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 123.449 1.595 . . . . 0.0 112.877 -170.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -123.56 150.83 43.57 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.037 1.399 . . . . 0.0 112.268 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.088 HD13 ' CZ3' ' A' ' 35' ' ' TRP . 13.1 mt -103.45 119.56 39.12 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.442 172.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.55 117.44 34.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.487 1.613 . . . . 0.0 111.042 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.613 HG21 ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -81.13 164.42 50.42 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.601 -177.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.862 ' CG ' HD21 ' A' ' 94' ' ' LEU . 11.1 Cg_endo -48.51 -177.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.382 1 C-N-CA 127.522 5.482 . . . . 0.0 115.022 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -88.97 31.07 0.88 Allowed 'General case' 0 C--O 1.244 0.802 0 CA-C-N 114.484 -1.235 . . . . 0.0 112.145 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -102.23 149.99 23.75 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.52 -0.738 . . . . 0.0 110.594 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.64 124.06 27.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.83 . . . . 0.0 111.113 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.44 ' HB2' ' CG2' ' A' ' 30' ' ' ILE . 12.3 ptm -79.6 167.99 19.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.86 0.838 . . . . 0.0 111.039 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 t -172.2 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.493 1.139 . . . . 0.0 111.18 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -87.92 -27.41 22.16 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.704 -172.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -108.69 -29.4 8.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.552 -1.342 . . . . 0.0 113.843 -171.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.44 ' CG2' ' HB2' ' A' ' 26' ' ' MET . 0.6 OUTLIER -85.88 144.12 10.16 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 122.0 -0.438 . . . . 0.0 110.63 -176.003 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.87 -37.01 0.82 Allowed 'General case' 0 C--O 1.258 1.549 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -172.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.806 ' O ' HD13 ' A' ' 33' ' ' ILE . 92.6 m-20 -113.71 157.17 22.55 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.284 1.516 . . . . 0.0 111.677 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.97 HG23 HG23 ' A' ' 85' ' ' ILE . 1.1 mm -147.2 123.81 3.04 Favored 'Isoleucine or valine' 0 C--O 1.259 1.553 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.112 -174.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.4 138.94 50.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.93 1.824 . . . . 0.0 111.87 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 1.088 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 51.0 m95 -130.35 145.52 51.8 Favored 'General case' 0 C--O 1.25 1.121 0 C-N-CA 124.672 1.189 . . . . 0.0 109.928 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.55 163.35 33.15 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 121.332 -0.855 . . . . 0.0 110.736 -174.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.911 ' HG2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -100.79 97.26 7.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.585 1.183 . . . . 0.0 109.325 176.245 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.626 ' CG2' HG22 ' A' ' 80' ' ' ILE . 1.2 p -47.43 -30.62 3.48 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.82 -171.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -51.16 -41.4 60.13 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 121.775 -0.578 . . . . 0.0 112.406 -171.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -152.99 37.66 0.5 Allowed 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.18 -0.95 . . . . 0.0 112.324 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.631 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 58.34 71.86 0.56 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.995 1.379 . . . . 0.0 111.184 172.252 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.911 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 10.4 tmtt? -129.88 85.06 2.26 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 122.258 1.028 . . . . 0.0 112.498 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.902 ' HB2' ' NE2' ' A' ' 46' ' ' GLN . 5.1 pttt -45.68 101.54 0.03 OUTLIER 'General case' 0 C--O 1.239 0.514 0 CA-C-O 122.617 1.198 . . . . 0.0 110.719 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.503 HG21 ' CD2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -91.33 -48.68 13.8 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.848 -172.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.967 ' HB1' HD13 ' A' ' 62' ' ' LEU . . . -125.33 142.13 51.67 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 121.506 -0.746 . . . . 0.0 110.566 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.902 ' NE2' ' HB2' ' A' ' 43' ' ' LYS . 11.0 mt-30 -156.15 156.14 33.71 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.828 1.299 . . . . 0.0 112.565 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CE1' HG21 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.92 112.93 12.85 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 123.59 0.756 . . . . 0.0 110.721 174.669 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -139.16 101.77 4.35 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.751 -0.593 . . . . 0.0 111.352 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.29 148.74 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.152 0.977 . . . . 0.0 110.685 175.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -89.32 40.83 1.0 Allowed 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.861 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.03 -10.9 9.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 173.352 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.569 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 43.4 tt0 169.11 97.72 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.911 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.46 HG21 ' CE1' ' A' ' 47' ' ' PHE . 8.6 p -78.74 175.11 10.76 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.608 0.718 . . . . 0.0 111.136 174.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -118.48 94.41 4.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.052 0.929 . . . . 0.0 110.902 173.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -164.94 57.99 0.13 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.961 0.886 . . . . 0.0 110.876 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -90.69 32.67 0.96 Allowed 'General case' 0 C--O 1.249 1.071 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.683 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.42 118.81 0.55 Allowed 'General case' 0 C--O 1.246 0.903 0 O-C-N 121.058 -1.026 . . . . 0.0 110.75 -176.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.77 -11.77 60.98 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.8 t -58.15 -26.1 62.27 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.301 -0.874 . . . . 0.0 110.649 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CE1' HG23 ' A' ' 70' ' ' ILE . 23.0 m-85 -150.01 93.25 1.99 Allowed 'General case' 0 C--O 1.248 0.976 0 O-C-N 121.837 -0.539 . . . . 0.0 110.536 171.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.674 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 6.7 tttp -125.79 135.17 51.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.999 0.904 . . . . 0.0 112.271 -172.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.967 HD13 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -80.34 151.19 29.59 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.156 0.583 . . . . 0.0 110.847 176.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.674 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 15.5 m-85 -109.88 174.13 6.01 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 121.165 -0.96 . . . . 0.0 111.299 174.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -65.86 -46.23 79.22 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 121.495 -0.753 . . . . 0.0 110.569 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -64.07 -20.13 65.73 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.448 -0.783 . . . . 0.0 110.385 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.613 ' O ' HG21 ' A' ' 21' ' ' ILE . . . 99.67 24.03 10.4 Favored Glycine 0 C--O 1.25 1.098 0 O-C-N 121.556 -0.715 . . . . 0.0 113.075 171.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.481 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -87.53 150.37 23.77 Favored 'General case' 0 C--O 1.247 0.971 0 O-C-N 120.857 -1.378 . . . . 0.0 110.731 173.043 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.986 HD22 HD12 ' A' ' 19' ' ' LEU . 7.7 tt -108.24 109.54 20.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.014 0.912 . . . . 0.0 111.613 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 11.8 ttmt -80.95 142.81 33.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.602 0.715 . . . . 0.0 110.963 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 59' ' ' THR . 2.3 mt -126.69 115.97 43.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-O 121.667 0.746 . . . . 0.0 110.624 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.41 135.15 35.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.64 0.733 . . . . 0.0 111.39 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t60 61.34 121.66 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.278 1.513 . . . . 0.0 111.362 -173.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.701 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 3.1 tm? -139.09 85.52 2.07 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.979 -1.076 . . . . 0.0 113.107 -178.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -107.28 -171.71 1.93 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.673 1.225 . . . . 0.0 109.834 169.153 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.423 ' HA ' HG13 ' A' ' 102' ' ' ILE . 88.3 m -47.18 -25.56 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.63 170.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.41 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -77.95 -49.05 14.89 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.833 0.825 . . . . 0.0 111.549 179.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.67 13.72 9.86 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.516 -0.74 . . . . 0.0 111.619 -176.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.577 ' HG3' HG12 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -93.21 101.49 13.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.317 1.056 . . . . 0.0 111.505 174.414 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.19 174.18 7.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.283 1.039 . . . . 0.0 111.183 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.626 HG22 ' CG2' ' A' ' 38' ' ' THR . 2.8 mp -96.54 151.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.91 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.835 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 73.8 m-85 -141.08 165.16 28.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.555 1.169 . . . . 0.0 111.423 -171.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 20.3 ttpt -151.58 133.82 15.24 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.697 173.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 85' ' ' ILE . 2.9 p -108.27 113.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.884 1.326 . . . . 0.0 110.94 -173.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.446 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 2.3 p -116.36 111.29 19.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.238 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.97 HG23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -118.42 123.22 71.25 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -173.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.555 ' HA ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -113.82 180.0 3.8 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 120.989 -1.07 . . . . 0.0 111.816 -167.713 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.737 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -97.89 -171.29 2.14 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.092 0.949 . . . . 0.0 110.862 -177.255 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -24.53 56.36 Favored 'General case' 0 C--O 1.252 1.229 0 O-C-N 121.403 -0.81 . . . . 0.0 112.133 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -112.44 30.14 7.34 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 120.951 -1.093 . . . . 0.0 112.154 -173.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.78 18.07 69.96 Favored Glycine 0 C--O 1.25 1.119 0 O-C-N 121.282 -0.886 . . . . 0.0 113.126 173.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.737 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -90.25 123.12 33.77 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.121 -1.223 . . . . 0.0 111.472 -177.351 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.31 99.39 0.03 OUTLIER 'General case' 0 C--O 1.243 0.724 0 O-C-N 121.511 -0.743 . . . . 0.0 110.736 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -77.55 -50.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 123.209 1.48 . . . . 0.0 110.468 -179.516 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.862 HD21 ' CG ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -152.12 145.44 24.74 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.994 175.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.413 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -129.63 153.46 48.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 -178.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HB2' HG13 ' A' ' 83' ' ' VAL . 4.5 mmmt -146.5 163.75 34.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.519 ' O ' ' HD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -126.18 138.54 54.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.749 0.785 . . . . 0.0 110.904 -178.424 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.737 ' CD1' HD23 ' A' ' 7' ' ' LEU . 20.8 m-30 -134.16 172.08 13.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.161 0.981 . . . . 0.0 111.744 -172.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 1.5 p30 -158.36 111.71 2.41 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.487 0.66 . . . . 0.0 111.742 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.835 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.31 141.25 47.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.868 0.842 . . . . 0.0 110.962 173.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' H ' HD23 ' A' ' 100' ' ' LEU . 28.0 mttp -130.02 -176.73 4.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 123.193 1.473 . . . . 0.0 111.423 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.725 ' CG2' HD12 ' A' ' 13' ' ' LEU . 5.0 mm -142.82 140.36 27.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.832 170.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.258 -171.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.709 ' O ' HD12 ' A' ' 97' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.5 0 CA-C-O 122.386 1.089 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 5' ' ' ASN . . . 179.81 167.75 1.21 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.113 0.958 . . . . 0.0 111.236 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.757 HD12 ' CE2' ' A' ' 98' ' ' PHE . 10.1 mt -142.58 78.94 1.64 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.205 1.002 . . . . 0.0 110.689 173.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -47.19 104.26 0.05 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.162 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.82 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -112.75 159.62 18.77 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.906 -0.496 . . . . 0.0 110.393 176.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -147.92 159.58 43.71 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 121.744 -0.597 . . . . 0.0 110.539 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.79 -170.45 24.38 Favored Glycine 0 C--O 1.239 0.413 0 CA-C-O 123.074 1.374 . . . . 0.0 112.731 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.524 ' HB3' ' OE1' ' A' ' 15' ' ' GLN . . . -124.97 170.79 10.77 Favored 'General case' 0 C--O 1.242 0.664 0 O-C-N 121.543 -0.975 . . . . 0.0 110.688 173.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.086 ' CD1' HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -89.96 134.33 34.29 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.592 1.663 . . . . 0.0 113.415 -172.556 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 47.04 7.06 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -172.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.524 ' OE1' ' HB3' ' A' ' 12' ' ' ALA . 1.2 tt0 -157.87 142.77 16.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 124.831 2.253 . . . . 0.0 116.164 -167.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 158.34 21.9 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.045 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.025 ' CG2' HD21 ' A' ' 100' ' ' LEU . 8.7 tt -160.32 156.13 3.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.958 0.885 . . . . 0.0 110.811 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -116.74 121.24 41.03 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.237 1.018 . . . . 0.0 111.513 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.938 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 6.5 mt -79.58 107.69 12.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.934 0.874 . . . . 0.0 110.119 172.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -151.48 0.09 Allowed 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -171.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.901 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -165.74 150.39 7.63 Favored Pre-proline 0 C--N 1.318 -0.767 0 O-C-N 121.484 -0.76 . . . . 0.0 110.363 -172.341 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.901 ' HD2' HG12 ' A' ' 21' ' ' ILE . 10.5 Cg_exo -40.49 177.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.439 1 C-N-CA 126.941 5.094 . . . . 0.0 116.143 177.315 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.59 31.6 0.75 Allowed 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.691 -172.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.03 ' HD2' HD12 ' A' ' 94' ' ' LEU . 22.7 m-85 -107.28 164.8 11.87 Favored 'General case' 0 C--O 1.244 0.815 0 O-C-N 121.479 -0.763 . . . . 0.0 110.557 171.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -139.69 114.09 9.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.973 0.892 . . . . 0.0 111.055 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.96 ' HG2' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -80.3 171.38 15.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.866 0.841 . . . . 0.0 110.826 177.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -97.77 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.093 0.949 . . . . 0.0 110.736 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.33 -27.25 24.42 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.049 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -83.63 -28.02 28.73 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.235 -0.916 . . . . 0.0 113.107 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.96 HD12 ' HG2' ' A' ' 26' ' ' MET . 1.9 mt -86.6 142.0 13.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 -175.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.76 -30.25 4.18 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -171.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' C ' HG12 ' A' ' 33' ' ' ILE . 4.3 m-20 -133.19 168.32 18.76 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.163 1.459 . . . . 0.0 111.87 -172.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.986 HG23 HG23 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -148.41 153.45 11.41 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.549 -173.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -158.36 144.4 17.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.739 1.733 . . . . 0.0 112.593 172.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.938 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 32.7 m95 -137.25 109.28 7.19 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.162 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.07 167.69 9.87 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.167 0.984 . . . . 0.0 110.796 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 44' ' ' ILE . 4.0 mttt -94.8 -178.03 4.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.412 1.101 . . . . 0.0 111.107 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 1.036 HG22 ' HB ' ' A' ' 80' ' ' ILE . 39.4 p -45.63 -120.62 0.0 OUTLIER 'General case' 0 C--O 1.256 1.443 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 1.3 m -74.49 -22.59 58.99 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 119.775 -1.828 . . . . 0.0 110.44 -172.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.764 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -61.94 -36.34 81.12 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.277 172.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.764 ' HG3' ' C ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 49.56 45.19 24.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.76 1.267 . . . . 0.0 110.185 -178.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.798 ' NZ ' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -118.72 111.58 18.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.625 1.202 . . . . 0.0 110.965 -172.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.521 ' O ' ' HE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -49.57 95.9 0.01 OUTLIER 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.661 -173.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.457 HG23 ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.35 -31.54 52.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 121.697 -0.627 . . . . 0.0 110.669 171.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.572 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -140.45 135.89 32.45 Favored 'General case' 0 C--O 1.259 1.559 0 O-C-N 121.75 -0.594 . . . . 0.0 110.573 -174.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' HB3' ' HD2' ' A' ' 54' ' ' PHE . 4.5 tt0 -159.2 156.47 28.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 123.808 1.766 . . . . 0.0 113.824 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.544 ' HD1' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -120.51 135.0 55.2 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.431 172.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.544 ' N ' ' HD1' ' A' ' 47' ' ' PHE . 18.1 ttt180 -162.75 114.18 1.53 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.456 0.646 . . . . 0.0 111.129 -177.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 tptm 68.13 146.65 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.966 0.888 . . . . 0.0 110.607 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -90.26 35.93 0.87 Allowed 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.636 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -120.08 -8.4 9.75 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 178.81 145.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.044 -174.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 p -121.94 168.83 11.44 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.644 0.735 . . . . 0.0 111.048 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.575 ' HD2' ' HB3' ' A' ' 46' ' ' GLN . 3.0 t80 -109.45 97.16 6.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.642 0.734 . . . . 0.0 110.975 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.31 92.42 0.73 Allowed 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -75.51 -31.85 60.31 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.666 -0.647 . . . . 0.0 111.565 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -150.09 158.39 44.12 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.433 -0.792 . . . . 0.0 110.896 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -22.12 60.97 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.566 -0.709 . . . . 0.0 112.707 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 59.0 m -48.52 -23.04 0.85 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.055 0.455 . . . . 0.0 110.325 174.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.627 ' HE2' ' CE2' ' A' ' 81' ' ' TYR . 22.8 m-85 -150.97 83.88 1.33 Allowed 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 172.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.729 ' HB3' ' HE1' ' A' ' 63' ' ' PHE . 1.4 tttt -94.29 158.78 15.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.918 1.342 . . . . 0.0 112.482 -172.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.859 HD11 HG21 ' A' ' 33' ' ' ILE . 15.7 tp -117.04 145.44 43.71 Favored 'General case' 0 C--O 1.254 1.337 0 C-N-CA 124.126 0.97 . . . . 0.0 109.865 172.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.754 ' HD1' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -126.89 168.44 14.49 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.959 -1.088 . . . . 0.0 111.294 178.099 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -33.22 73.35 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.62 0.724 . . . . 0.0 111.148 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -84.64 9.13 14.6 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.533 -0.729 . . . . 0.0 112.102 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.57 17.15 64.58 Favored Glycine 0 C--O 1.252 1.219 0 O-C-N 120.857 -1.152 . . . . 0.0 112.851 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -90.22 149.72 22.28 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.842 -1.387 . . . . 0.0 111.081 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -129.25 115.81 18.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.758 0.79 . . . . 0.0 111.101 173.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 tttt -104.26 105.92 16.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.913 -0.492 . . . . 0.0 111.884 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -99.71 118.74 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.547 1.165 . . . . 0.0 108.667 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -91.24 136.15 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 118.65 2.833 . . . . 0.0 118.65 -165.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.469 ' O ' HD23 ' A' ' 73' ' ' LEU . 55.8 t-80 35.16 85.42 0.01 OUTLIER 'General case' 0 C--O 1.242 0.666 0 C-N-CA 127.592 2.357 . . . . 0.0 115.014 166.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.866 ' HB2' ' CG ' ' A' ' 77' ' ' ASP . 61.4 mt -158.29 169.87 23.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 125.378 2.513 . . . . 0.0 114.073 174.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 -153.86 0.33 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.295 -171.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.499 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 67.8 m -48.92 -23.06 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.799 -1.188 . . . . 0.0 112.955 172.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -46.87 88.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.502 1.144 . . . . 0.0 111.962 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.866 ' CG ' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -69.37 -11.36 60.76 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.056 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.479 HE21 HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -79.97 115.94 19.83 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.261 -0.9 . . . . 0.0 110.77 177.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.498 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 8.7 m-20 -153.55 173.08 16.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.513 1.149 . . . . 0.0 111.151 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.036 ' HB ' HG22 ' A' ' 38' ' ' THR . 1.0 OUTLIER -96.32 131.91 41.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-O 123.381 1.562 . . . . 0.0 110.607 173.019 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.627 ' CE2' ' HE2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -126.36 167.19 15.87 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.322 1.049 . . . . 0.0 110.631 -173.095 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.748 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 3.0 ttpm? -153.37 130.17 10.89 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.167 -0.958 . . . . 0.0 110.705 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.991 ' CG2' HD11 ' A' ' 85' ' ' ILE . 12.2 p -103.23 127.53 57.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 122.687 1.232 . . . . 0.0 111.457 -173.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -133.45 107.46 8.06 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 123.643 0.777 . . . . 0.0 110.423 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.991 HD11 ' CG2' ' A' ' 83' ' ' VAL . 2.0 mm -116.19 119.55 62.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.559 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.033 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.523 ' O ' HG23 ' A' ' 30' ' ' ILE . 4.6 m-85 -111.34 162.96 14.48 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 120.212 -1.555 . . . . 0.0 112.922 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.696 ' HB3' HG11 ' A' ' 93' ' ' VAL . 10.3 p-10 -88.54 -168.96 2.36 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.793 1.282 . . . . 0.0 111.263 174.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -30.21 71.27 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.46 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -89.83 16.33 8.28 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.44 -0.787 . . . . 0.0 112.414 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 16.37 70.39 Favored Glycine 0 C--O 1.252 1.228 0 O-C-N 120.887 -1.133 . . . . 0.0 112.459 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.19 143.16 27.21 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.018 -1.283 . . . . 0.0 111.282 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -78.72 84.51 4.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.262 1.03 . . . . 0.0 110.573 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.696 HG11 ' HB3' ' A' ' 87' ' ' ASP . 2.4 m -70.34 -18.6 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.742 0.782 . . . . 0.0 112.536 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.03 HD12 ' HD2' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -152.22 146.76 25.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.897 0.856 . . . . 0.0 110.88 174.148 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -154.07 152.34 30.35 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.352 0.596 . . . . 0.0 110.736 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.748 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -173.21 162.03 4.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.357 1.075 . . . . 0.0 111.297 -176.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 5' ' ' ASN . 5.1 mt -114.26 141.03 32.03 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.755 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.784 ' CE1' HG12 ' A' ' 83' ' ' VAL . 6.3 m-85 -136.53 167.32 21.59 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.455 -0.778 . . . . 0.0 111.197 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -161.56 87.39 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.031 0.92 . . . . 0.0 111.038 -173.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.025 HD21 ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.9 103.56 0.6 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.143 0.973 . . . . 0.0 111.111 173.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.451 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -101.98 161.72 13.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 123.264 1.507 . . . . 0.0 112.036 176.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 1.086 HD12 ' CD1' ' A' ' 13' ' ' LEU . 1.2 mm -127.6 153.33 36.73 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.623 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.318 -0.768 0 CA-C-O 122.724 1.25 . . . . 0.0 111.794 -171.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 C--O 1.238 0.485 0 CA-C-O 122.861 1.315 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.89 173.45 6.32 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 122.76 1.267 . . . . 0.0 111.535 -175.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 11.2 mt -127.85 94.67 4.0 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.541 1.162 . . . . 0.0 111.19 -173.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.44 107.55 0.15 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.054 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.61 141.97 45.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.724 0.773 . . . . 0.0 110.964 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -131.38 159.78 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.05 0.929 . . . . 0.0 111.085 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.86 -153.3 6.35 Favored Glycine 0 C--O 1.239 0.452 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.75 ' HA ' HG23 ' A' ' 102' ' ' ILE . . . -161.63 146.29 13.15 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 110.766 173.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.876 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -50.64 118.65 3.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 123.401 1.572 . . . . 0.0 110.64 174.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.876 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 90.18 43.98 4.84 Favored Glycine 0 C--O 1.245 0.84 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 174.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.696 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 2.1 tp60 -130.15 169.88 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 123.561 1.648 . . . . 0.0 112.951 -171.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.443 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -126.43 138.97 53.59 Favored 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 172.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.683 HG21 HD21 ' A' ' 100' ' ' LEU . 4.8 tp -147.49 172.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.579 1.18 . . . . 0.0 112.295 -171.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -131.33 138.73 49.33 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.094 0.95 . . . . 0.0 111.738 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.023 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.6 OUTLIER -87.11 95.21 9.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.576 0.703 . . . . 0.0 110.227 172.224 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.31 108.84 20.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.118 1.437 . . . . 0.0 111.603 -171.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.952 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 11.0 tp -70.26 154.79 94.28 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.035 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.952 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 10.4 Cg_exo -41.65 -175.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.386 1 C-N-CA 127.318 5.345 . . . . 0.0 116.346 173.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 29.78 0.74 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.717 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -104.85 122.71 46.32 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.435 0.636 . . . . 0.0 110.594 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.21 143.54 50.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.038 0.923 . . . . 0.0 111.398 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.415 ' HB2' ' CG2' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -71.82 154.54 41.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.924 0.869 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.8 t -132.94 -122.7 0.18 Allowed 'General case' 0 C--O 1.254 1.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 -175.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -88.12 -27.43 21.92 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 120.708 -1.245 . . . . 0.0 112.045 -173.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.7 -26.81 20.48 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.203 -0.936 . . . . 0.0 113.113 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 86' ' ' TYR . 30.7 mt -87.52 161.67 2.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 CA-C-O 121.125 0.488 . . . . 0.0 110.817 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HB2' HG22 ' A' ' 88' ' ' THR . 0.4 OUTLIER -150.07 -36.68 0.15 Allowed 'General case' 0 C--O 1.262 1.762 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.0 158.76 16.07 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.197 -1.564 . . . . 0.0 112.034 -171.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.053 HG23 HD13 ' A' ' 85' ' ' ILE . 5.2 mt -140.07 157.53 25.61 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.651 173.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -158.72 141.14 14.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.535 1.636 . . . . 0.0 112.228 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 1.023 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 38.7 m95 -133.36 120.84 21.5 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.011 172.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.6 150.97 22.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.67 0.748 . . . . 0.0 110.689 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.865 ' HB3' HG23 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -102.75 145.27 29.98 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.928 -0.482 . . . . 0.0 109.958 176.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.811 HG21 ' CG2' ' A' ' 80' ' ' ILE . 7.8 p -76.39 -37.12 57.62 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 121.354 -0.841 . . . . 0.0 111.701 -171.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -64.61 0.78 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.883 0.849 . . . . 0.0 111.143 -173.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -11.03 40.55 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.258 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 59.12 62.44 1.85 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.821 1.296 . . . . 0.0 110.471 -173.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -152.03 128.08 10.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 123.199 1.476 . . . . 0.0 112.964 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.92 97.89 0.01 OUTLIER 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.109 0.964 . . . . 0.0 112.544 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.865 HG23 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -68.11 -28.42 40.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.91 0 O-C-N 121.852 -0.53 . . . . 0.0 111.329 172.211 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . . . -144.39 146.83 32.74 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.231 -0.918 . . . . 0.0 110.768 -177.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.56 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -168.56 159.69 10.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 123.512 1.625 . . . . 0.0 112.834 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.56 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -123.51 134.52 53.87 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.821 175.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -167.98 126.02 1.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.973 0.892 . . . . 0.0 111.53 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 51' ' ' LYS . 1.1 tttp 69.09 142.46 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.006 0.908 . . . . 0.0 110.999 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -90.59 36.98 0.9 Allowed 'General case' 0 C--O 1.251 1.151 0 O-C-N 121.822 -0.549 . . . . 0.0 111.665 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -120.24 -9.34 9.55 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 173.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER 172.14 150.7 0.06 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.211 -1.359 . . . . 0.0 110.949 -176.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.487 HG21 ' HE1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.68 -172.02 2.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.676 0.751 . . . . 0.0 111.038 -174.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' HD2' ' HA ' ' A' ' 45' ' ' ALA . 43.9 t80 -127.0 94.6 4.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.905 0.859 . . . . 0.0 111.246 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -159.34 62.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.252 1.025 . . . . 0.0 110.612 173.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -26.55 47.14 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.696 -172.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 59' ' ' THR . 11.2 mmmt -149.31 168.03 24.45 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.94 -1.1 . . . . 0.0 111.292 -173.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.26 -10.56 56.36 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.667 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 70' ' ' ILE . 10.2 t -65.12 -21.33 66.78 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.266 -0.897 . . . . 0.0 110.916 173.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.879 ' HE1' ' HE2' ' A' ' 81' ' ' TYR . 21.9 m-85 -150.09 92.42 1.88 Allowed 'General case' 0 C--O 1.245 0.824 0 O-C-N 121.596 -0.69 . . . . 0.0 110.754 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -110.77 154.55 23.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.698 1.237 . . . . 0.0 111.858 -173.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.972 HD11 HG21 ' A' ' 33' ' ' ILE . 4.9 tp -108.25 150.03 27.82 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.741 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -128.85 177.43 7.09 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.176 -0.952 . . . . 0.0 111.361 177.325 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -72.6 -40.97 66.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.768 0.794 . . . . 0.0 111.423 -173.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -87.22 15.39 6.32 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.936 -0.477 . . . . 0.0 112.182 -173.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' HA2' HD12 ' A' ' 85' ' ' ILE . . . 77.89 22.94 67.83 Favored Glycine 0 C--O 1.251 1.175 0 O-C-N 121.0 -1.063 . . . . 0.0 112.409 -177.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -90.59 141.14 29.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 120.951 -1.323 . . . . 0.0 111.132 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.839 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.5 tt -107.74 153.07 23.5 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.399 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 tmmt? -134.27 114.16 12.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -108.68 103.05 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 122.229 1.014 . . . . 0.0 110.736 -178.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -89.3 140.69 29.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 -173.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 61.68 123.27 0.01 OUTLIER 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.95 1.357 . . . . 0.0 110.822 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.696 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -139.82 163.35 32.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.751 1.263 . . . . 0.0 109.319 -171.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.78 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -153.58 -148.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.446 168.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.459 ' HA ' HG13 ' A' ' 102' ' ' ILE . 96.2 m -82.0 -29.96 31.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 123.7 1.714 . . . . 0.0 109.431 164.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -54.05 12.58 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.213 172.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.476 ' CB ' ' HA ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.11 -0.87 10.59 Favored 'General case' 0 C--O 1.254 1.341 0 O-C-N 121.016 -1.052 . . . . 0.0 110.604 -177.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.467 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -87.58 137.85 31.98 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.691 -1.256 . . . . 0.0 110.625 171.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-20 -158.49 167.5 29.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.272 1.034 . . . . 0.0 111.769 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.811 ' CG2' HG21 ' A' ' 38' ' ' THR . 2.4 mp -92.22 143.53 11.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 O-C-N 121.703 -0.623 . . . . 0.0 110.044 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.879 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 84.1 m-85 -134.07 169.38 17.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.988 0.899 . . . . 0.0 110.826 -171.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.8 128.03 12.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.887 0.851 . . . . 0.0 110.808 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 21' ' ' ILE . 3.7 p -104.99 115.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.572 1.177 . . . . 0.0 110.896 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.61 119.64 28.63 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.601 0.761 . . . . 0.0 110.079 176.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.053 HD13 HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -125.53 129.52 72.81 Favored 'Isoleucine or valine' 0 C--O 1.26 1.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -172.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -124.48 165.13 18.32 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 120.203 -1.56 . . . . 0.0 112.472 -167.378 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.479 ' OD1' HG13 ' A' ' 93' ' ' VAL . 3.9 p-10 -79.43 -174.56 4.28 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 122.317 1.055 . . . . 0.0 111.088 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -60.91 -32.0 71.5 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.582 -177.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -95.53 25.27 4.59 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.419 -0.801 . . . . 0.0 112.33 -173.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.82 25.03 70.32 Favored Glycine 0 C--O 1.249 1.044 0 O-C-N 121.006 -1.059 . . . . 0.0 112.727 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.52 127.66 36.31 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.174 -1.192 . . . . 0.0 111.264 173.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 93.22 1.69 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.006 0.908 . . . . 0.0 110.713 175.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.479 HG13 ' OD1' ' A' ' 87' ' ' ASP . 29.6 m -76.63 -37.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.59 1.186 . . . . 0.0 111.689 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.726 HD22 ' H ' ' A' ' 95' ' ' GLU . 0.8 OUTLIER -155.67 142.15 18.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.609 1.195 . . . . 0.0 110.778 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.726 ' H ' HD22 ' A' ' 94' ' ' LEU . 13.3 pt-20 -145.36 170.88 15.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.507 1.146 . . . . 0.0 111.884 -172.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HD3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -170.59 159.25 6.64 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.917 -178.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.73 129.56 75.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 CA-C-O 121.364 0.602 . . . . 0.0 110.885 -178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.825 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 19.4 m-85 -115.99 171.64 7.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.913 0.863 . . . . 0.0 111.271 -174.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.99 94.12 1.5 Allowed 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.872 -0.518 . . . . 0.0 111.506 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 101' ' ' LYS . 1.5 tm? -77.08 130.89 38.0 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.318 -0.864 . . . . 0.0 110.908 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.742 ' N ' HD13 ' A' ' 100' ' ' LEU . 47.3 mttt -133.69 171.34 14.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.051 0.929 . . . . 0.0 111.352 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.75 HG23 ' HA ' ' A' ' 12' ' ' ALA . 31.7 mm -120.72 145.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 122.049 0.928 . . . . 0.0 110.526 172.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.487 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.548 0 CA-C-O 122.481 1.134 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.52 177.93 8.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.439 1.59 . . . . 0.0 112.152 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.044 HD23 ' CD2' ' A' ' 98' ' ' PHE . 9.1 tp -127.75 123.39 35.21 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.65 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.89 94.0 0.3 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.869 0.843 . . . . 0.0 110.956 173.616 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.876 HG21 HD23 ' A' ' 19' ' ' LEU . 2.4 m -101.51 100.68 11.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.867 0.842 . . . . 0.0 110.822 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.529 ' O ' HD12 ' A' ' 17' ' ' ILE . 95.9 m95 -98.23 157.15 16.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.026 0.917 . . . . 0.0 111.579 -173.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.595 ' HA3' HG21 ' A' ' 17' ' ' ILE . . . -157.18 -144.75 4.02 Favored Glycine 0 C--O 1.24 0.475 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 1.055 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -139.56 166.33 24.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.877 0.846 . . . . 0.0 110.934 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 9.4 tt -93.16 116.72 29.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.829 1.299 . . . . 0.0 110.63 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.42 44.12 8.15 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -169.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 1.055 ' CG ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -127.34 -170.52 2.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 124.38 2.038 . . . . 0.0 112.855 -169.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.44 126.12 17.95 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.723 171.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.595 HG21 ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -142.03 173.55 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.516 0 CA-C-O 122.633 1.206 . . . . 0.0 111.364 -172.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' N ' HG13 ' A' ' 17' ' ' ILE . 10.9 m120 -119.57 173.6 6.9 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 123.759 1.743 . . . . 0.0 112.855 -173.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.979 ' CD1' HD23 ' A' ' 68' ' ' LEU . 11.4 mt -127.09 124.23 38.73 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 125.202 1.401 . . . . 0.0 109.793 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.1 -163.95 1.11 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.0 1.381 . . . . 0.0 111.565 -171.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.911 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.73 157.6 14.4 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.559 -171.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.923 ' HG2' HD21 ' A' ' 94' ' ' LEU . 21.1 Cg_exo -43.11 169.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.552 1 C-N-CA 126.579 4.853 . . . . 0.0 115.214 -178.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.99 31.97 0.94 Allowed 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.441 -0.787 . . . . 0.0 111.884 -173.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -90.52 168.37 11.87 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.317 -0.864 . . . . 0.0 110.836 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -126.44 66.28 1.23 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.357 1.075 . . . . 0.0 111.045 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -55.6 131.32 46.04 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.467 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -124.34 -120.31 0.27 Allowed 'General case' 0 C--O 1.254 1.298 0 O-C-N 121.311 -0.868 . . . . 0.0 110.216 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.93 12.01 4.5 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 120.738 -1.226 . . . . 0.0 112.53 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -93.1 -28.02 16.59 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.741 -1.224 . . . . 0.0 112.855 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 93' ' ' VAL . 2.1 mm -90.07 145.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.749 0.785 . . . . 0.0 111.152 -173.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.27 -37.96 1.62 Allowed 'General case' 0 C--O 1.251 1.136 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.209 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' C ' HG12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -116.32 155.99 27.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.765 1.269 . . . . 0.0 111.659 -172.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.088 HG23 HG23 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -149.73 132.0 6.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.507 -176.344 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -140.73 135.76 31.88 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.134 1.445 . . . . 0.0 112.103 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.939 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 55.8 m95 -131.2 125.41 32.88 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.917 172.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.01 159.62 25.26 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-O 121.432 0.635 . . . . 0.0 110.847 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 26.7 ttpt -84.21 97.26 9.29 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.72 HG23 ' C ' ' A' ' 81' ' ' TYR . 19.3 p -35.55 -42.22 0.22 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -171.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -64.18 -71.23 0.18 Allowed 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.487 0.66 . . . . 0.0 112.211 -173.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 19.62 15.4 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 121.344 -0.848 . . . . 0.0 113.059 -172.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.67 61.69 2.87 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 120.978 -1.076 . . . . 0.0 110.46 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' ILE . 20.9 mttp -119.35 94.38 4.4 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 122.597 1.189 . . . . 0.0 112.422 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -44.8 99.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.046 0.927 . . . . 0.0 111.445 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.919 HD12 ' CD1' ' A' ' 60' ' ' TYR . 28.1 pt -92.33 -45.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.135 0.969 . . . . 0.0 110.976 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.732 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -133.95 142.44 47.69 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.529 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.529 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 5.2 tt0 -160.61 153.95 21.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.106 1.432 . . . . 0.0 112.414 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 46' ' ' GLN . 2.0 m-85 -138.01 85.75 2.12 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.744 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -104.96 79.3 1.49 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-O 121.284 0.564 . . . . 0.0 111.184 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 69.13 154.59 0.12 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.362 1.077 . . . . 0.0 110.164 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -86.91 40.01 0.88 Allowed 'General case' 0 C--O 1.249 1.078 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.297 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.84 -6.93 11.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.633 1.206 . . . . 0.0 113.918 172.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -175.77 75.25 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.837 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.18 171.55 10.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.866 0.841 . . . . 0.0 111.269 -173.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HD1' ' C ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -132.67 101.25 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.764 0.792 . . . . 0.0 111.27 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 53.59 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.865 0.841 . . . . 0.0 111.106 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -1.45 28.56 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -173.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.633 ' HB3' HG22 ' A' ' 59' ' ' THR . 8.6 tttm -155.07 149.84 26.59 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 120.811 -1.18 . . . . 0.0 111.303 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -74.37 -17.53 60.8 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.633 HG22 ' HB3' ' A' ' 57' ' ' LYS . 10.2 t -52.01 -26.5 10.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.86 0.838 . . . . 0.0 110.731 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.919 ' CD1' HD12 ' A' ' 44' ' ' ILE . 49.3 m-85 -150.67 96.02 2.31 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 121.223 0.535 . . . . 0.0 110.614 171.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.65 126.0 53.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.894 0.854 . . . . 0.0 111.694 -172.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.732 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 1.1 tp -86.7 141.56 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 121.479 -0.763 . . . . 0.0 111.196 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.623 ' H ' HD12 ' A' ' 62' ' ' LEU . 22.7 m-85 -112.51 173.67 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.993 0.901 . . . . 0.0 111.256 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -77.3 -39.98 45.98 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.743 0.782 . . . . 0.0 111.154 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -70.43 -5.17 26.51 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 121.679 -0.638 . . . . 0.0 111.843 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.78 17.32 33.32 Favored Glycine 0 C--O 1.252 1.232 0 O-C-N 120.84 -1.162 . . . . 0.0 112.462 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 19' ' ' LEU . 1.3 m -90.1 168.17 12.18 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 120.86 -1.376 . . . . 0.0 110.947 173.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.979 HD23 ' CD1' ' A' ' 19' ' ' LEU . 18.3 tp -135.12 130.34 35.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.715 0.769 . . . . 0.0 111.026 174.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -107.96 126.14 52.35 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.378 -0.827 . . . . 0.0 110.902 -173.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.488 HG13 ' CE1' ' A' ' 60' ' ' TYR . 1.1 tt -121.83 112.53 35.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.752 1.263 . . . . 0.0 110.102 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.88 149.17 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.56 1.172 . . . . 0.0 112.009 -172.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 49.68 81.03 0.06 Allowed 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.18 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.033 HD23 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -132.93 100.95 5.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.861 1.791 . . . . 0.0 113.095 -173.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.19 -159.19 0.66 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.115 171.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 m -49.86 -28.98 7.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.518 1.151 . . . . 0.0 111.978 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -32.62 31.12 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.219 -173.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -73.97 -19.54 60.63 Favored 'General case' 0 C--O 1.255 1.37 0 O-C-N 121.219 -0.926 . . . . 0.0 111.99 177.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.636 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -69.22 103.59 1.98 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.099 -1.001 . . . . 0.0 110.938 -174.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -133.96 162.79 31.1 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 110.92 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.516 HG22 ' OG1' ' A' ' 38' ' ' THR . 0.1 OUTLIER -89.16 147.2 5.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.768 0.794 . . . . 0.0 110.539 175.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.91 ' CD2' HD11 ' A' ' 19' ' ' LEU . 14.5 m-85 -138.27 166.46 24.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.078 0.942 . . . . 0.0 111.522 -171.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -154.35 129.07 9.33 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.785 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.811 HG12 ' CE1' ' A' ' 98' ' ' PHE . 9.8 p -101.97 121.47 53.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 122.7 1.238 . . . . 0.0 111.314 -173.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.664 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 85.1 p -117.29 112.87 21.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.462 173.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.088 HG23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -121.82 119.27 58.25 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-O 121.305 0.574 . . . . 0.0 109.912 -173.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.686 ' N ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -115.19 160.36 19.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.702 1.239 . . . . 0.0 112.588 -167.319 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.429 ' CG ' ' CG1' ' A' ' 93' ' ' VAL . 31.3 p30 -90.6 -176.35 4.71 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.544 1.164 . . . . 0.0 111.37 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -29.43 67.88 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.921 -175.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -93.89 26.03 3.37 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 121.215 -0.928 . . . . 0.0 112.512 -172.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.18 11.04 66.71 Favored Glycine 0 C--O 1.25 1.148 0 O-C-N 120.934 -1.104 . . . . 0.0 113.307 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 133.5 35.18 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 121.104 -1.233 . . . . 0.0 111.556 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -73.59 87.99 1.66 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.022 1.868 . . . . 0.0 109.436 172.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.896 HG21 HD11 ' A' ' 30' ' ' ILE . 19.5 m -72.15 -31.63 40.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 114.815 -1.084 . . . . 0.0 112.292 -172.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.923 HD21 ' HG2' ' A' ' 22' ' ' PRO . 29.8 tp -152.09 156.55 40.12 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.224 1.012 . . . . 0.0 110.836 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -160.29 151.28 19.01 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.793 0.806 . . . . 0.0 110.947 -172.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.811 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 9.9 mmtt -157.35 160.27 38.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.849 0.833 . . . . 0.0 110.867 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -114.51 141.0 32.52 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 121.605 0.717 . . . . 0.0 110.819 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 1.044 ' CD2' HD23 ' A' ' 7' ' ' LEU . 12.7 m-85 -142.29 178.21 7.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.925 0.869 . . . . 0.0 111.418 -173.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.495 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -177.21 117.25 0.1 Allowed 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.49 0.662 . . . . 0.0 111.922 176.469 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.033 HD21 HD23 ' A' ' 73' ' ' LEU . 1.1 tp -57.0 163.07 2.16 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.513 -0.742 . . . . 0.0 110.749 172.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.729 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 1.3 mttt -151.14 162.88 40.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.645 1.212 . . . . 0.0 111.769 173.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 13' ' ' LEU . 19.8 mm -117.52 141.66 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.006 0.908 . . . . 0.0 109.741 170.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.244 0.809 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.757 -172.187 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--O 1.238 0.467 0 CA-C-O 123.109 1.433 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.4 172.95 15.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.878 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.071 HD12 ' CE2' ' A' ' 98' ' ' PHE . 85.4 mt -115.71 113.18 23.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.796 0.808 . . . . 0.0 111.155 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.41 86.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.544 1.164 . . . . 0.0 109.582 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.41 132.48 43.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.518 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -130.04 152.86 49.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.741 0.782 . . . . 0.0 111.359 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.4 -146.92 4.71 Favored Glycine 0 C--O 1.24 0.5 0 CA-C-O 121.968 0.76 . . . . 0.0 111.361 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.632 ' C ' HD13 ' A' ' 102' ' ' ILE . . . -150.59 134.13 16.47 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.86 -0.788 . . . . 0.0 111.03 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -48.62 122.04 5.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.636 1.684 . . . . 0.0 110.776 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.927 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 94.43 42.23 4.01 Favored Glycine 0 C--O 1.245 0.784 0 N-CA-C 108.452 -1.859 . . . . 0.0 108.452 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' O ' HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -150.34 154.09 37.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.461 2.077 . . . . 0.0 115.102 -169.255 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -90.79 140.7 29.55 Favored 'General case' 0 C--O 1.251 1.164 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.408 171.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.654 HG22 HD13 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -139.02 150.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 122.251 1.024 . . . . 0.0 111.659 -172.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.469 ' N ' HG13 ' A' ' 17' ' ' ILE . 51.0 p-10 -98.76 147.0 25.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.926 1.346 . . . . 0.0 111.359 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.869 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 5.6 mt -108.51 106.74 16.97 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.04 -158.11 0.12 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.914 0.864 . . . . 0.0 110.901 -171.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.956 HG13 ' HD2' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -164.75 161.88 15.07 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 121.678 0.751 . . . . 0.0 110.809 -172.339 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.956 ' HD2' HG13 ' A' ' 21' ' ' ILE . 30.9 Cg_exo -45.18 174.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.455 1 C-N-CA 126.526 4.818 . . . . 0.0 115.167 177.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -90.15 32.03 0.95 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.789 -174.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.667 ' CD1' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -131.73 149.26 52.54 Favored 'General case' 0 C--O 1.245 0.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.54 173.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.32 149.3 48.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.212 1.006 . . . . 0.0 111.143 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.686 ' HB3' HG21 ' A' ' 30' ' ' ILE . 4.6 ptt? -51.3 154.52 1.68 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.973 0.892 . . . . 0.0 110.912 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.03 -89.12 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.608 1.194 . . . . 0.0 111.041 -173.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.96 -58.35 5.73 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.057 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -154.68 49.57 0.6 Allowed 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.982 -1.074 . . . . 0.0 113.045 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -89.88 142.42 12.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 O-C-N 120.791 -1.193 . . . . 0.0 110.144 171.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.43 -41.82 1.21 Allowed 'General case' 0 C--O 1.261 1.68 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -171.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -123.35 150.11 44.06 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.204 -1.56 . . . . 0.0 112.13 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.942 ' HA ' HG23 ' A' ' 85' ' ' ILE . 1.4 mp -144.92 110.98 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.771 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -113.71 146.06 40.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.558 1.17 . . . . 0.0 111.338 -173.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.869 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 40.6 m95 -138.69 124.18 19.48 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.688 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.21 165.9 12.64 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.811 -0.556 . . . . 0.0 110.948 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.638 ' HB3' HD13 ' A' ' 44' ' ' ILE . 4.1 ptmt -104.91 89.28 3.11 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.246 1.022 . . . . 0.0 108.857 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.516 ' OG1' HG22 ' A' ' 80' ' ' ILE . 3.1 p -47.06 -22.98 0.41 Allowed 'General case' 0 C--O 1.255 1.373 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -169.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -48.29 -69.15 0.13 Allowed 'General case' 0 C--O 1.244 0.8 0 O-C-N 120.927 -1.108 . . . . 0.0 111.025 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.64 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -101.57 16.96 24.07 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.724 -0.61 . . . . 0.0 112.002 172.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 14.0 pttt 46.36 57.14 5.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.815 1.293 . . . . 0.0 110.47 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.64 ' HB2' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -127.42 120.08 27.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 123.147 1.451 . . . . 0.0 112.83 -173.296 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.72 151.07 0.21 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 122.902 1.334 . . . . 0.0 112.321 -174.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.638 HD13 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -141.31 -43.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 122.396 1.093 . . . . 0.0 110.794 -179.046 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.614 ' HB3' HD13 ' A' ' 68' ' ' LEU . . . -140.74 145.54 36.56 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.472 174.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.14 147.27 12.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.971 1.367 . . . . 0.0 112.87 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.472 ' HD2' ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -120.43 123.08 42.15 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.323 172.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -145.2 83.83 1.69 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.328 0.585 . . . . 0.0 110.792 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.81 159.39 0.09 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.363 1.554 . . . . 0.0 110.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.48 37.02 0.67 Allowed 'General case' 0 C--O 1.249 1.044 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.364 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -119.44 -7.85 10.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.574 1.178 . . . . 0.0 114.119 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -179.88 110.09 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.944 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.64 -177.07 3.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.01 0.909 . . . . 0.0 111.058 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -137.33 110.4 7.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.062 0.934 . . . . 0.0 111.233 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -164.87 76.84 0.3 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.777 0.799 . . . . 0.0 110.816 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 57' ' ' LYS . 8.5 pt-20 -84.81 -22.56 29.48 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.789 -0.569 . . . . 0.0 112.396 -172.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 34.2 mtmt -149.93 172.34 15.34 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.792 -1.193 . . . . 0.0 111.494 -173.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.73 -23.66 18.84 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.475 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 94.8 m -45.89 -26.46 0.69 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.853 0.835 . . . . 0.0 110.245 173.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.976 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 35.4 m-85 -147.81 110.25 4.64 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.933 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -135.47 144.9 46.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.114 1.435 . . . . 0.0 113.47 -175.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -83.64 154.16 23.87 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.866 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.953 ' CD2' HG22 ' A' ' 67' ' ' THR . 93.2 m-85 -127.43 173.41 9.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.158 -0.964 . . . . 0.0 111.047 173.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -68.24 -54.38 18.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.983 0.897 . . . . 0.0 111.007 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -60.88 -14.5 22.57 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.05 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' HA2' HG21 ' A' ' 33' ' ' ILE . . . 99.86 27.54 7.85 Favored Glycine 0 C--O 1.248 1.02 0 O-C-N 121.047 -1.033 . . . . 0.0 111.874 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.953 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.51 167.51 12.53 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.074 -1.251 . . . . 0.0 110.751 172.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.699 HD23 HD12 ' A' ' 19' ' ' LEU . 13.4 tp -135.69 111.58 9.48 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.387 -0.821 . . . . 0.0 111.487 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.934 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -82.52 159.15 22.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.86 0.838 . . . . 0.0 110.714 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.757 HD11 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mt -135.27 117.56 21.76 Favored 'Isoleucine or valine' 0 C--O 1.259 1.594 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.106 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 59' ' ' THR . 7.8 tptm -91.17 136.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.26 101.38 0.01 OUTLIER 'General case' 0 C--O 1.252 1.234 0 C-N-CA 124.432 1.093 . . . . 0.0 113.02 172.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.108 HD21 HD11 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -134.85 -178.57 5.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.479 1.133 . . . . 0.0 111.496 -173.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.999 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.5 mttt -151.05 -142.75 0.12 Allowed 'General case' 0 C--O 1.245 0.827 0 C-N-CA 125.123 1.369 . . . . 0.0 109.688 170.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -75.08 -23.19 57.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 123.142 1.448 . . . . 0.0 110.823 165.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.09 -34.55 56.86 Favored 'General case' 0 C--O 1.271 2.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 113.413 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 1.049 ' CB ' ' HB2' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -70.17 -6.07 31.7 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 121.152 1.797 . . . . 0.0 110.279 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.435 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -58.87 132.91 55.36 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.718 1.247 . . . . 0.0 110.916 171.606 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.4 m-20 -151.26 179.33 8.41 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 122.568 1.175 . . . . 0.0 110.672 172.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.53 HG23 ' OD1' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -104.44 145.24 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 122.034 0.921 . . . . 0.0 110.189 173.193 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.976 ' HE2' ' CE1' ' A' ' 60' ' ' TYR . 6.7 m-85 -144.54 163.41 33.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.739 0.781 . . . . 0.0 110.377 -172.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.835 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -160.37 133.79 6.84 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.21 0.529 . . . . 0.0 110.285 172.711 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.926 HG12 ' CE1' ' A' ' 98' ' ' PHE . 7.8 p -102.9 121.49 54.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 122.236 1.017 . . . . 0.0 110.815 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -119.3 107.58 13.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.652 0.739 . . . . 0.0 110.269 174.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.942 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -116.81 119.52 62.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.974 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.378 -171.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.56 ' HD2' ' N ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -115.66 158.28 22.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 112.436 -169.597 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -76.4 -173.05 2.34 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 122.052 0.93 . . . . 0.0 111.104 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -26.7 65.65 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 121.603 -0.686 . . . . 0.0 111.895 -178.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -90.34 19.22 5.33 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.098 -1.001 . . . . 0.0 112.48 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.76 13.03 60.62 Favored Glycine 0 C--O 1.249 1.048 0 O-C-N 120.938 -1.101 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 120.13 31.09 Favored 'General case' 0 C--O 1.245 0.82 0 O-C-N 121.093 -1.239 . . . . 0.0 111.427 -174.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.56 ' N ' ' HD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -58.48 94.07 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.81 1.291 . . . . 0.0 110.695 173.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 85' ' ' ILE . 13.1 m -77.47 -26.87 15.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 122.425 1.107 . . . . 0.0 111.993 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 22' ' ' PRO . 53.9 tp -164.97 155.24 13.78 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.394 1.092 . . . . 0.0 110.852 173.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.84 159.33 40.47 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.598 -173.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.835 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -172.69 156.25 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.004 0.907 . . . . 0.0 110.897 -177.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.44 152.68 7.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.781 1.277 . . . . 0.0 111.645 -172.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 1.071 ' CE2' HD12 ' A' ' 7' ' ' LEU . 45.6 m-85 -135.63 166.83 22.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.343 1.068 . . . . 0.0 111.674 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 80' ' ' ILE . 1.9 m-20 -155.81 95.24 1.63 Allowed 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.673 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.751 ' CD1' HD21 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.75 146.55 7.83 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.945 0.878 . . . . 0.0 111.269 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -144.9 -177.71 5.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 123.55 1.643 . . . . 0.0 111.012 173.658 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 1.108 HD11 HD21 ' A' ' 73' ' ' LEU . 3.2 mt -151.45 160.12 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.828 170.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 102' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.694 0 CA-C-O 122.001 0.905 . . . . 0.0 110.31 -172.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--O 1.237 0.431 0 CA-C-O 122.974 1.368 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 172.08 7.05 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.413 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 4.5 tp -123.76 107.19 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.868 0.842 . . . . 0.0 110.943 -173.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -66.43 94.51 0.28 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.782 0.801 . . . . 0.0 110.913 174.26 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -90.95 172.82 8.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 110.483 173.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.485 ' CH2' ' HD3' ' A' ' 101' ' ' LYS . 93.3 m95 -160.59 148.77 16.33 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.808 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.591 ' HA3' HD12 ' A' ' 73' ' ' LEU . . . -159.97 116.52 0.72 Allowed Glycine 0 C--O 1.241 0.565 0 O-C-N 121.252 -0.905 . . . . 0.0 112.346 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.852 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -61.96 144.94 54.32 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.621 -0.929 . . . . 0.0 110.581 173.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.745 HD12 ' CG2' ' A' ' 102' ' ' ILE . 4.2 mp -57.91 134.04 55.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.601 1.191 . . . . 0.0 111.025 -173.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.69 31.55 44.39 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.216 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.852 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.1 tm0? -116.32 159.19 22.27 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.086 -1.244 . . . . 0.0 110.456 -173.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.24 131.07 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.406 1.098 . . . . 0.0 109.948 173.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -135.77 177.93 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 123.1 1.429 . . . . 0.0 112.604 -170.755 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.64 ' O ' HD22 ' A' ' 19' ' ' LEU . 19.1 m-20 -117.73 177.88 4.6 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 123.343 1.544 . . . . 0.0 111.835 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.109 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 2.2 mm? -135.2 101.07 4.73 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 124.302 1.041 . . . . 0.0 109.268 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -94.57 110.22 22.05 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 123.313 1.53 . . . . 0.0 113.663 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.019 HD12 ' HD2' ' A' ' 22' ' ' PRO . 5.7 tp -72.87 154.77 90.99 Favored Pre-proline 0 C--O 1.246 0.902 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.121 170.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 1.019 ' HD2' HD12 ' A' ' 21' ' ' ILE . 10.0 Cg_endo -46.13 179.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.468 1 C-N-CA 127.241 5.294 . . . . 0.0 114.722 174.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.54 30.67 0.99 Allowed 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.838 -1.073 . . . . 0.0 112.224 -175.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -114.75 123.31 48.91 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 121.487 -0.758 . . . . 0.0 110.005 172.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.7 173.39 11.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.951 1.358 . . . . 0.0 112.113 -172.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.432 ' HA ' HG13 ' A' ' 30' ' ' ILE . 17.1 ptt? -66.53 174.69 2.65 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.887 -1.052 . . . . 0.0 111.221 -174.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -176.89 -61.14 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.962 1.363 . . . . 0.0 110.986 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -94.58 0.02 OUTLIER 'General case' 0 C--O 1.248 0.991 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.06 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.78 ' O ' HG23 ' A' ' 88' ' ' THR . 25.2 m-20 -122.37 27.83 7.72 Favored 'General case' 0 C--O 1.249 1.042 0 O-C-N 121.434 -0.791 . . . . 0.0 111.922 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.752 HD13 ' HB3' ' A' ' 87' ' ' ASP . 5.1 mm -71.95 122.32 24.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 O-C-N 121.213 -0.929 . . . . 0.0 110.252 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.69 -31.63 3.94 Favored 'General case' 0 C--O 1.257 1.481 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -171.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.44 142.1 32.37 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 120.756 -1.215 . . . . 0.0 111.311 -172.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.935 ' HA ' HG23 ' A' ' 85' ' ' ILE . 5.7 mt -148.85 104.25 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.876 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HG3' ' CD ' ' A' ' 46' ' ' GLN . 21.5 tttt -114.64 152.27 32.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.594 1.664 . . . . 0.0 111.999 -173.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 1.109 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.8 m95 -144.17 126.0 15.24 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.296 173.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -132.8 168.52 18.21 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.401 -0.812 . . . . 0.0 111.192 -171.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' NZ ' HG22 ' A' ' 44' ' ' ILE . 2.3 mtmm -83.22 117.66 23.09 Favored 'General case' 0 C--O 1.249 1.074 0 O-C-N 121.336 -0.853 . . . . 0.0 109.022 171.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 82' ' ' LYS . 74.6 p -54.13 -44.79 71.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.989 0.9 . . . . 0.0 111.283 -170.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -61.19 -84.28 0.01 OUTLIER 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.754 0.788 . . . . 0.0 111.383 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.822 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.34 13.61 3.47 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 121.736 -0.602 . . . . 0.0 112.606 -174.029 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.822 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER 51.79 62.89 2.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.035 1.398 . . . . 0.0 110.186 173.451 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.0 tttt -119.38 102.39 8.64 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.199 1.475 . . . . 0.0 112.219 -173.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.796 ' HD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -44.8 130.38 7.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.998 1.38 . . . . 0.0 111.875 176.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.806 HD12 ' CD1' ' A' ' 60' ' ' TYR . 17.4 pt -127.3 -43.07 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 122.367 1.079 . . . . 0.0 110.828 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.871 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -139.65 127.24 21.7 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.311 175.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.766 ' HB3' ' HD3' ' A' ' 43' ' ' LYS . 4.3 tt0 -160.03 147.6 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.415 1.579 . . . . 0.0 113.218 -173.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.759 ' CD1' HG22 ' A' ' 53' ' ' THR . 1.9 m-30 -124.85 122.04 36.27 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 172.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HG2' ' HG2' ' A' ' 46' ' ' GLN . 4.7 ptm180 -158.07 113.22 2.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.812 0.815 . . . . 0.0 111.104 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.8 145.14 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.765 0.793 . . . . 0.0 110.61 -173.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.26 32.43 0.94 Allowed 'General case' 0 C--O 1.248 0.986 0 O-C-N 121.743 -0.598 . . . . 0.0 111.915 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -106.28 -7.84 17.59 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -176.77 135.82 0.23 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.944 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.759 HG22 ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -117.07 158.17 24.63 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.779 0.8 . . . . 0.0 110.926 178.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CD2' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -121.03 97.42 5.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.94 0.876 . . . . 0.0 111.145 177.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -162.86 56.25 0.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.195 0.998 . . . . 0.0 110.652 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.79 -31.29 62.49 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.545 -173.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.745 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER -151.55 157.28 42.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.064 0.935 . . . . 0.0 111.176 -174.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 4.7 m-20 -72.6 -4.76 32.76 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 176.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.745 HG22 ' HB3' ' A' ' 57' ' ' LYS . 10.3 t -60.68 -25.83 66.66 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.089 -1.007 . . . . 0.0 110.783 174.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.806 ' CD1' HD12 ' A' ' 44' ' ' ILE . 49.6 m-85 -150.07 80.77 1.37 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.634 0.731 . . . . 0.0 110.55 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -107.28 169.45 8.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.388 1.089 . . . . 0.0 112.74 -172.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.871 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -111.65 163.32 14.24 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 174.007 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.639 ' CD2' HG22 ' A' ' 67' ' ' THR . 13.3 m-30 -125.59 169.87 12.04 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 121.36 -0.837 . . . . 0.0 111.03 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -63.5 -28.81 70.21 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.379 -0.826 . . . . 0.0 111.612 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -96.84 11.54 35.41 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 121.405 -0.809 . . . . 0.0 112.341 -173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.37 6.95 73.43 Favored Glycine 0 C--O 1.253 1.322 0 O-C-N 120.799 -1.188 . . . . 0.0 112.891 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -88.03 149.18 24.14 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 119.049 1.424 . . . . 0.0 111.218 177.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -109.2 148.85 30.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 110.509 172.331 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.45 134.07 55.27 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.554 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.595 HD12 HD11 ' A' ' 17' ' ' ILE . 1.8 mt -121.06 107.31 20.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.081 0.943 . . . . 0.0 110.606 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -82.42 142.46 31.93 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.407 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t60 61.25 110.23 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 123.279 1.514 . . . . 0.0 110.691 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.984 HD21 ' CD1' ' A' ' 100' ' ' LEU . 2.4 tm? -136.31 69.64 1.42 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.062 0.934 . . . . 0.0 112.711 -170.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.634 ' CE ' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -94.34 -171.66 2.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.153 0.978 . . . . 0.0 110.473 170.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.1 m -51.68 -26.87 10.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.28 1.038 . . . . 0.0 111.602 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.634 ' HB3' ' CE ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -76.26 -40.28 52.27 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.632 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.01 14.34 14.22 Favored 'General case' 0 C--O 1.253 1.24 0 O-C-N 121.31 -0.869 . . . . 0.0 112.129 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.825 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.38 126.31 34.79 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 120.822 -1.174 . . . . 0.0 111.245 173.462 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -157.6 160.53 38.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.841 -176.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.459 HG22 HG21 ' A' ' 38' ' ' THR . 22.8 mt -86.07 148.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.379 0.609 . . . . 0.0 110.063 173.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.656 ' HE1' ' HB3' ' A' ' 100' ' ' LEU . 96.8 m-85 -140.83 156.01 46.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.847 0.832 . . . . 0.0 111.349 -170.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.787 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 6.2 tttt -146.61 132.55 19.14 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.918 0.866 . . . . 0.0 110.666 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' A' ' 98' ' ' PHE . 4.6 p -104.1 119.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.16 0.981 . . . . 0.0 110.967 -173.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.496 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -124.23 109.89 13.97 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.868 0.842 . . . . 0.0 110.324 178.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.935 HG23 ' HA ' ' A' ' 33' ' ' ILE . 1.5 mt -120.33 118.62 57.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.341 0 O-C-N 121.925 -0.485 . . . . 0.0 110.129 -172.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.667 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 2.6 m-85 -114.88 168.81 9.58 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 120.512 -1.367 . . . . 0.0 112.524 -168.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.752 ' HB3' HD13 ' A' ' 30' ' ' ILE . 10.6 p30 -94.16 -174.61 3.43 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.192 0.996 . . . . 0.0 110.99 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 29' ' ' ASP . 74.8 p -57.87 -26.2 61.77 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 121.431 -0.793 . . . . 0.0 112.149 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -98.23 30.7 3.03 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.034 -1.041 . . . . 0.0 112.121 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.7 49.37 Favored Glycine 0 C--O 1.248 0.981 0 O-C-N 121.241 -0.912 . . . . 0.0 111.999 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 1.1 mtpt -90.33 126.87 36.01 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.16 -1.2 . . . . 0.0 111.48 -173.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.667 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 1.4 t30 -67.5 92.82 0.32 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.111 0.958 . . . . 0.0 110.839 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.722 HG21 HD12 ' A' ' 30' ' ' ILE . 15.1 m -78.18 -27.95 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.368 1.08 . . . . 0.0 112.352 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.614 HD21 ' HG2' ' A' ' 22' ' ' PRO . 28.3 tp -151.94 151.53 31.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.232 1.015 . . . . 0.0 110.999 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.546 ' H ' HD12 ' A' ' 94' ' ' LEU . 4.5 tm-20 -154.58 158.68 40.14 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.708 -174.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.787 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -166.48 160.35 15.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.044 0.926 . . . . 0.0 111.393 -178.665 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.405 ' O ' ' HD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -119.81 134.83 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.933 0.873 . . . . 0.0 110.808 -177.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.739 ' HD2' ' CZ3' ' A' ' 35' ' ' TRP . 21.7 m-30 -135.63 160.86 37.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.814 -172.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 9' ' ' THR . 4.5 m-20 -146.28 86.55 1.7 Allowed 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.318 -0.864 . . . . 0.0 111.878 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.984 ' CD1' HD21 ' A' ' 73' ' ' LEU . 1.5 tm? -61.17 108.19 0.86 Allowed 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.529 0.68 . . . . 0.0 110.793 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 99' ' ' ASP . 1.8 mtpm? -104.68 172.07 6.99 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 123.356 1.551 . . . . 0.0 112.12 -174.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.84 ' CD1' HD13 ' A' ' 73' ' ' LEU . 1.2 mm -128.83 151.51 35.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.019 171.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.723 0 CA-C-O 121.937 0.875 . . . . 0.0 111.229 -172.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 121.955 0.883 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.97 169.9 16.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.062 0.934 . . . . 0.0 110.985 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.801 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 14.9 mt -125.46 112.96 16.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.31 1.052 . . . . 0.0 110.994 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.97 102.0 0.32 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.846 0.831 . . . . 0.0 111.019 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 1.035 HG21 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.91 122.29 45.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.516 0.674 . . . . 0.0 110.523 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.51 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 86.2 m95 -118.82 157.72 27.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.924 0.869 . . . . 0.0 112.174 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.2 -171.07 25.62 Favored Glycine 0 C--O 1.24 0.491 0 CA-C-O 122.299 0.944 . . . . 0.0 111.741 173.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.843 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -135.91 153.34 51.48 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 121.732 -0.864 . . . . 0.0 110.712 173.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.618 ' CD1' HG21 ' A' ' 102' ' ' ILE . 5.8 mp -62.1 135.72 57.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.124 1.44 . . . . 0.0 112.676 -171.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.19 43.23 Favored Glycine 0 C--O 1.238 0.364 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.843 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 15.1 tt0 -138.21 146.02 42.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.622 1.201 . . . . 0.0 112.088 -171.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -97.39 135.74 38.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.677 -175.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.463 HG12 ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -128.48 157.53 40.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.991 0.9 . . . . 0.0 111.336 -172.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -110.44 146.42 35.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.92 1.343 . . . . 0.0 111.703 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.035 ' CD1' HG21 ' A' ' 9' ' ' THR . 0.2 OUTLIER -100.1 96.96 7.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.434 172.598 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.93 117.96 31.62 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 123.609 1.671 . . . . 0.0 111.692 -169.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.994 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.84 154.05 92.9 Favored Pre-proline 0 C--O 1.239 0.541 0 CA-C-O 122.483 1.135 . . . . 0.0 112.123 177.016 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.994 ' HD2' HG12 ' A' ' 21' ' ' ILE . 13.8 Cg_exo -43.39 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.375 1 C-N-CA 127.699 5.6 . . . . 0.0 116.807 174.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.07 29.22 0.84 Allowed 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.896 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.606 ' HD2' HD13 ' A' ' 94' ' ' LEU . 2.4 t80 -116.27 123.43 47.69 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.625 -0.672 . . . . 0.0 110.083 171.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -135.32 144.37 46.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.42 1.105 . . . . 0.0 111.773 -172.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.472 ' CE ' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -86.51 166.34 15.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.998 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -124.77 -113.9 0.29 Allowed 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.325 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -90.11 23.34 2.87 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.855 -1.153 . . . . 0.0 111.861 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -108.13 -78.4 0.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.942 1.354 . . . . 0.0 110.939 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.75 HG23 ' O ' ' A' ' 86' ' ' TYR . 1.3 mp -49.08 144.01 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.705 -174.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.5 -31.7 3.22 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.381 -173.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.83 142.95 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.098 . . . . 0.0 111.224 -172.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.042 HG23 HD12 ' A' ' 85' ' ' ILE . 29.3 mt -139.78 104.1 1.88 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.882 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.022 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -110.83 153.77 24.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.236 1.493 . . . . 0.0 112.244 -173.01 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.946 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 49.7 m95 -155.24 131.4 10.21 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.423 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.799 ' C ' HD12 ' A' ' 44' ' ' ILE . 16.8 tt0 -124.5 170.71 10.62 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 111.088 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.929 ' HB3' HD11 ' A' ' 44' ' ' ILE . 14.3 ptmt -105.38 85.09 2.19 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.562 ' OG1' HG22 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -38.4 -37.21 0.28 Allowed 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.069 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 t -49.58 -68.4 0.18 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.991 -1.068 . . . . 0.0 111.412 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -92.79 3.49 55.55 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.659 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 7.8 ttmt 54.26 62.11 2.73 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.627 -1.295 . . . . 0.0 110.405 -177.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.705 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -129.83 121.53 26.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 123.545 1.64 . . . . 0.0 113.879 -172.468 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -42.62 97.29 0.01 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.919 1.342 . . . . 0.0 111.547 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.929 HD11 ' HB3' ' A' ' 37' ' ' LYS . 5.1 mt -82.62 -41.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 123.053 1.406 . . . . 0.0 110.899 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.736 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -171.27 134.38 0.9 Allowed 'General case' 0 C--O 1.253 1.248 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.358 -172.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.543 ' N ' HD21 ' A' ' 62' ' ' LEU . 7.3 tt0 -159.77 142.49 13.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.742 1.258 . . . . 0.0 112.29 -173.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 114.33 17.92 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.709 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.78 101.59 3.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.858 0.837 . . . . 0.0 111.116 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.46 147.38 0.06 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.071 0.939 . . . . 0.0 110.724 -176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.2 34.43 0.87 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.783 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.87 -7.39 13.76 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 172.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 171.72 129.34 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.723 178.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 p -147.5 174.28 11.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.046 0.927 . . . . 0.0 111.079 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -123.13 109.66 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.874 0.845 . . . . 0.0 111.016 -177.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.68 40.87 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.647 0.737 . . . . 0.0 110.919 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.84 24.4 2.06 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.782 -0.574 . . . . 0.0 112.345 -172.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.24 151.72 5.8 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 120.933 -1.105 . . . . 0.0 111.591 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.39 -15.67 39.66 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 174.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.0 m -50.6 -20.68 1.26 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.951 -0.468 . . . . 0.0 110.204 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.847 ' HD1' ' CG2' ' A' ' 70' ' ' ILE . 40.7 m-85 -150.5 85.22 1.37 Allowed 'General case' 0 C--O 1.245 0.822 0 CA-C-O 121.262 0.553 . . . . 0.0 109.787 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -93.17 168.74 10.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.277 1.037 . . . . 0.0 113.408 -170.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.95 ' CD1' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -122.3 143.75 49.42 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.812 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.597 ' HE2' ' HB2' ' A' ' 69' ' ' LYS . 96.8 m-85 -125.37 154.82 41.28 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.356 -0.84 . . . . 0.0 110.817 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -13.35 62.32 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 121.622 -0.674 . . . . 0.0 111.839 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -96.73 26.72 4.33 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.057 -1.027 . . . . 0.0 111.96 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' HA3' HG21 ' A' ' 21' ' ' ILE . . . 77.07 7.02 86.63 Favored Glycine 0 C--O 1.254 1.395 0 O-C-N 121.091 -1.006 . . . . 0.0 113.267 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.449 HG22 ' CD2' ' A' ' 63' ' ' PHE . 3.3 m -88.76 161.53 16.73 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-N 119.133 1.466 . . . . 0.0 111.057 -176.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -138.23 114.67 10.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.5 1.143 . . . . 0.0 112.076 173.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.597 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 2.5 tttm -96.83 102.98 14.86 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.279 -0.888 . . . . 0.0 111.354 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -108.72 115.17 48.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 123.641 1.686 . . . . 0.0 110.654 -171.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -76.32 148.97 37.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.008 -171.217 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.8 t60 61.06 105.9 0.02 OUTLIER 'General case' 0 C--O 1.242 0.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.016 173.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.875 ' CD1' HD23 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -145.41 101.05 3.54 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -174.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.48 -171.21 1.79 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 126.818 2.047 . . . . 0.0 110.286 166.229 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.465 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.9 m -46.6 -29.95 2.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.345 1.069 . . . . 0.0 112.409 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -86.74 -33.12 20.08 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.149 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.78 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -99.55 23.03 9.98 Favored 'General case' 0 C--O 1.249 1.046 0 O-C-N 121.978 -0.451 . . . . 0.0 111.607 173.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.556 ' HB2' HD11 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -104.65 125.8 51.11 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.086 -1.009 . . . . 0.0 110.713 172.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -145.46 172.08 13.72 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.229 1.014 . . . . 0.0 111.59 -173.345 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.562 HG22 ' OG1' ' A' ' 38' ' ' THR . 4.1 mt -91.84 148.6 4.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.201 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.818 ' CD2' HD13 ' A' ' 44' ' ' ILE . 17.0 m-85 -143.92 163.22 34.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.898 0.856 . . . . 0.0 111.08 -171.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 8.5 ttpp -154.52 143.95 21.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.844 0.83 . . . . 0.0 110.663 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.94 HG12 ' HE1' ' A' ' 98' ' ' PHE . 7.3 p -114.95 123.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.279 1.037 . . . . 0.0 111.29 -173.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.413 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 85.5 p -125.55 103.72 8.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.83 0.824 . . . . 0.0 110.572 174.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.042 HD12 HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -112.66 116.25 52.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -173.283 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 30' ' ' ILE . 10.9 m-30 -107.05 164.11 12.42 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.588 1.185 . . . . 0.0 112.675 -169.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.83 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 15.6 p-10 -96.5 -173.89 2.89 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.738 1.256 . . . . 0.0 111.116 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.9 p -64.35 -30.28 71.33 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.868 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -83.24 8.61 12.82 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.213 -0.929 . . . . 0.0 112.394 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.25 19.47 79.81 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.797 -1.189 . . . . 0.0 112.54 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.83 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 2.7 mtpt -90.43 151.39 21.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.061 -1.258 . . . . 0.0 111.395 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 m120 -89.05 93.43 9.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.957 0.884 . . . . 0.0 110.707 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 85' ' ' ILE . 2.6 m -80.19 -20.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.606 HD13 ' HD2' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -162.53 145.49 11.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.155 0.979 . . . . 0.0 111.247 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -148.06 141.87 25.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.857 0.837 . . . . 0.0 110.91 -178.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -153.38 159.82 42.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.898 0.856 . . . . 0.0 111.031 -174.006 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.06 137.81 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.877 0.846 . . . . 0.0 110.869 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.94 ' HE1' HG12 ' A' ' 83' ' ' VAL . 19.8 m-85 -131.56 170.27 14.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.755 0.788 . . . . 0.0 111.142 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -158.8 100.49 1.6 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.217 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 70' ' ' ILE . 2.5 mp -54.43 145.88 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.377 -0.827 . . . . 0.0 110.746 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.43 163.97 29.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.464 1.126 . . . . 0.0 111.55 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.618 HG21 ' CD1' ' A' ' 13' ' ' LEU . 28.7 mm -115.43 144.22 23.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.84 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.51 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 7.7 tp60 . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 122.018 0.913 . . . . 0.0 111.453 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.879 ' HB3' HD12 ' A' ' 97' ' ' ILE . 1.2 m120 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 121.58 0.705 . . . . 0.0 111.634 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 5' ' ' ASN . . . 179.95 175.31 0.81 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.071 1.415 . . . . 0.0 111.77 173.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.052 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 5.7 mt -140.52 119.75 12.93 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.694 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 91.11 0.08 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.972 0.891 . . . . 0.0 110.881 -176.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.7 135.89 53.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.527 0.68 . . . . 0.0 110.596 -174.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 93.0 m95 -140.64 159.3 42.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.976 0.893 . . . . 0.0 111.508 -172.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.41 170.31 36.38 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.817 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -100.16 158.46 15.84 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 121.957 -0.731 . . . . 0.0 110.458 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.055 HD12 HG21 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -68.88 132.13 46.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.802 1.286 . . . . 0.0 110.973 -173.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.07 35.3 34.97 Favored Glycine 0 C--O 1.249 1.083 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.016 -176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.817 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -128.91 152.03 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.239 -1.154 . . . . 0.0 110.842 -172.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.538 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -101.46 135.35 43.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.388 1.09 . . . . 0.0 110.636 176.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.612 ' CG2' HD21 ' A' ' 100' ' ' LEU . 8.2 tp -140.82 157.56 23.35 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.761 ' O ' HD12 ' A' ' 19' ' ' LEU . 32.5 m120 -108.03 171.86 7.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.222 1.487 . . . . 0.0 111.949 -173.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.13 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 6.5 mp -127.02 117.12 21.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.302 1.048 . . . . 0.0 110.1 175.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.8 114.3 21.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.815 0.817 . . . . 0.0 109.67 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.038 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -96.24 -76.82 0.03 OUTLIER Pre-proline 0 C--O 1.259 1.56 0 N-CA-C 114.195 1.184 . . . . 0.0 114.195 -169.167 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 1.038 ' HD3' HG23 ' A' ' 21' ' ' ILE . 11.2 Cg_endo -87.43 157.82 8.01 Favored 'Trans proline' 0 N--CA 1.533 3.822 1 C-N-CA 126.762 4.975 . . . . 0.0 117.242 -172.427 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -92.15 23.92 3.57 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -115.39 155.53 27.22 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.412 -0.805 . . . . 0.0 110.62 -172.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.69 91.99 3.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.272 1.034 . . . . 0.0 110.838 176.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 30' ' ' ILE . 7.3 ptt? -60.39 171.74 1.01 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.919 0.866 . . . . 0.0 111.269 -173.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 t -146.18 -123.48 0.07 Allowed 'General case' 0 C--O 1.253 1.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.523 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.7 32.43 0.98 Allowed 'General case' 0 C--O 1.26 1.617 0 O-C-N 120.698 -1.251 . . . . 0.0 112.319 -171.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -115.36 -39.64 3.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.336 -1.478 . . . . 0.0 113.185 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.445 HD12 ' SD ' ' A' ' 26' ' ' MET . 0.2 OUTLIER -87.59 140.79 15.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.273 -173.031 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.47 -30.69 4.49 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.971 -173.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -126.16 155.42 41.76 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.361 1.077 . . . . 0.0 111.213 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.913 HG23 ' CG2' ' A' ' 85' ' ' ILE . 2.2 mt -137.29 160.92 35.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.801 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.665 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -156.24 147.72 22.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 123.248 1.499 . . . . 0.0 112.125 173.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 1.13 ' CZ3' HD23 ' A' ' 19' ' ' LEU . 30.0 m95 -139.85 112.22 7.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.132 173.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -94.62 153.42 17.85 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.471 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.608 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 17.4 tttt -98.37 86.78 3.7 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.789 -0.569 . . . . 0.0 110.073 -176.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.638 ' OG1' HG22 ' A' ' 80' ' ' ILE . 23.5 p -66.45 95.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 123.904 1.811 . . . . 0.0 110.861 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 p 179.22 -57.11 0.01 OUTLIER 'General case' 0 C--O 1.237 0.441 0 CA-C-O 123.747 1.737 . . . . 0.0 109.96 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -6.52 19.45 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.269 169.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 60.78 69.72 0.66 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.603 1.192 . . . . 0.0 111.308 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.58 154.37 5.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 124.054 1.883 . . . . 0.0 112.1 172.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.581 ' HB2' ' HE2' ' A' ' 54' ' ' PHE . 8.6 mttt -44.69 146.58 0.73 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-O 123.552 1.644 . . . . 0.0 112.949 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.608 ' CG2' ' HB2' ' A' ' 37' ' ' LYS . 12.7 pt -135.32 -42.93 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.38 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.773 ' CB ' HD21 ' A' ' 62' ' ' LEU . . . -132.17 139.76 48.49 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.541 173.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.665 ' HG3' ' CG ' ' A' ' 34' ' ' LYS . 12.3 tt0 -165.6 150.37 8.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 123.029 1.395 . . . . 0.0 112.407 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 1.012 ' HD1' HD12 ' A' ' 62' ' ' LEU . 3.8 m-85 -126.85 129.56 48.5 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.562 173.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -147.95 102.68 3.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.421 -0.799 . . . . 0.0 111.081 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.1 mttm 63.5 152.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.613 1.673 . . . . 0.0 110.511 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -87.54 37.65 0.79 Allowed 'General case' 0 C--O 1.25 1.097 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.287 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.89 -7.86 13.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.664 1.221 . . . . 0.0 113.959 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.58 149.58 1.28 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.923 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 p -125.54 160.21 30.12 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.353 0.597 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.581 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 1.7 t80 -121.97 87.25 2.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.954 0.883 . . . . 0.0 111.69 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 107.33 0.82 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.245 1.498 . . . . 0.0 110.086 172.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.19 -31.91 62.85 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 121.262 -0.898 . . . . 0.0 111.292 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -159.83 164.67 33.46 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.33 0.586 . . . . 0.0 110.755 -177.114 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' HA ' ' HB3' ' A' ' 61' ' ' LYS . 2.8 m-20 -72.96 -6.93 48.61 Favored 'General case' 0 C--O 1.255 1.348 0 O-C-N 121.613 -0.68 . . . . 0.0 112.491 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.772 HG22 ' HG3' ' A' ' 57' ' ' LYS . 9.2 t -55.43 -26.78 43.88 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.365 -0.834 . . . . 0.0 110.315 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.683 ' CE1' HG23 ' A' ' 70' ' ' ILE . 5.0 m-85 -148.61 86.15 1.52 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.619 0.723 . . . . 0.0 111.058 173.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.9 ptmt -129.2 167.55 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.305 1.05 . . . . 0.0 112.212 -176.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.012 HD12 ' HD1' ' A' ' 47' ' ' PHE . 4.7 mt -104.39 175.25 5.55 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.672 0.789 . . . . 0.0 111.064 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 67' ' ' THR . 65.6 m-85 -130.64 174.98 9.4 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.913 -1.117 . . . . 0.0 111.391 174.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -23.17 64.17 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.693 -0.629 . . . . 0.0 111.75 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -102.12 20.58 16.4 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.175 -0.953 . . . . 0.0 112.019 -175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -7.15 82.3 Favored Glycine 0 C--O 1.253 1.338 0 O-C-N 120.919 -1.113 . . . . 0.0 113.273 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.677 HG22 ' CD2' ' A' ' 63' ' ' PHE . 5.1 m -83.47 153.59 24.37 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.708 -1.466 . . . . 0.0 111.366 -173.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.957 HD23 HD22 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -118.79 132.56 56.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.853 0.835 . . . . 0.0 110.658 172.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 ttpt -100.79 134.84 43.17 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.456 0.646 . . . . 0.0 110.834 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.683 HG23 ' CE1' ' A' ' 60' ' ' TYR . 2.0 mt -119.06 108.58 24.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.884 0.849 . . . . 0.0 110.864 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.1 mtpt -86.46 143.35 27.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.747 0.784 . . . . 0.0 111.121 -176.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 60.68 104.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 123.079 1.419 . . . . 0.0 111.159 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.732 ' CD1' HD11 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -138.98 83.4 1.95 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.221 1.01 . . . . 0.0 112.21 -173.039 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -97.26 -163.59 1.06 Allowed 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.274 170.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 m -57.6 -28.1 63.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.217 1.008 . . . . 0.0 112.349 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -41.73 14.05 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.532 ' O ' HD22 ' A' ' 73' ' ' LEU . 1.3 m-20 -79.89 -0.28 34.22 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.477 -0.765 . . . . 0.0 112.052 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -83.19 129.14 34.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 120.799 -1.188 . . . . 0.0 110.728 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 68.0 m-20 -149.9 178.74 8.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.438 1.113 . . . . 0.0 111.21 -173.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.638 HG22 ' OG1' ' A' ' 38' ' ' THR . 5.1 mt -103.02 145.91 11.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.547 172.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -139.07 172.91 12.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.759 1.266 . . . . 0.0 111.44 -171.325 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.509 ' HG2' ' N ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -156.47 151.1 25.76 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.616 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.945 HG11 ' HB ' ' A' ' 21' ' ' ILE . 6.9 p -124.28 120.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 122.124 0.964 . . . . 0.0 110.879 -174.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 p -129.54 113.78 15.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.706 0.765 . . . . 0.0 110.407 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.913 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.6 mt -123.82 126.15 72.22 Favored 'Isoleucine or valine' 0 C--O 1.257 1.493 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.932 -173.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.532 ' CD2' ' HA ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -121.24 163.26 18.83 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.472 -1.392 . . . . 0.0 112.468 -168.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.3 p30 -87.68 -173.54 4.37 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 122.294 1.045 . . . . 0.0 110.995 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -26.74 46.36 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.288 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -96.29 24.36 5.82 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.962 -1.086 . . . . 0.0 112.661 -172.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.31 52.96 Favored Glycine 0 C--O 1.248 1.021 0 O-C-N 121.085 -1.009 . . . . 0.0 112.149 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.493 ' O ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.53 121.1 32.18 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.119 -1.224 . . . . 0.0 111.511 -174.079 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 34.6 t-20 -63.3 91.12 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.038 0.923 . . . . 0.0 110.482 173.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 91' ' ' LYS . 3.8 m -80.26 -22.45 11.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.879 0.847 . . . . 0.0 112.754 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.935 HD21 ' HB3' ' A' ' 22' ' ' PRO . 2.5 tp -165.17 141.44 5.57 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.155 0.979 . . . . 0.0 110.702 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.052 0.93 . . . . 0.0 111.071 -172.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 168.24 1.56 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.494 0.664 . . . . 0.0 110.835 173.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.879 HD12 ' HB3' ' A' ' 5' ' ' ASN . 7.2 mt -121.02 151.86 24.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 CA-C-O 121.628 0.728 . . . . 0.0 111.058 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 1.052 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 11.7 m-85 -135.68 166.27 23.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.821 0.819 . . . . 0.0 111.762 -174.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.484 ' OD1' ' HB1' ' A' ' 6' ' ' ALA . 2.9 m-20 -149.61 87.32 1.5 Allowed 'General case' 0 C--O 1.247 0.966 0 O-C-N 121.908 -0.495 . . . . 0.0 110.933 173.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.717 ' CD1' HD21 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -63.8 130.51 44.45 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.371 -0.83 . . . . 0.0 110.799 -177.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.556 ' N ' HD13 ' A' ' 100' ' ' LEU . 7.9 mttt -128.95 169.73 14.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.079 1.419 . . . . 0.0 112.137 -173.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 1.055 HG21 HD12 ' A' ' 13' ' ' LEU . 1.5 mm -122.11 150.18 25.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.759 170.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.5 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 10.7 tt0 . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 122.025 0.917 . . . . 0.0 111.045 -172.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.512 HD22 HD12 ' A' ' 97' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 122.918 1.342 . . . . 0.0 110.77 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.71 172.08 19.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 123.381 1.562 . . . . 0.0 112.765 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.063 HD23 ' CD2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -117.93 111.37 18.9 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.773 -176.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.25 93.97 5.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.318 1.056 . . . . 0.0 110.654 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.773 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -101.21 148.8 24.68 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.447 -173.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -139.43 152.52 47.11 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.71 -0.619 . . . . 0.0 111.016 -173.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.42 -176.49 32.57 Favored Glycine 0 C--O 1.239 0.462 0 CA-C-O 122.805 1.225 . . . . 0.0 112.243 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' C ' HD13 ' A' ' 102' ' ' ILE . . . -110.88 163.3 13.94 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.676 -0.897 . . . . 0.0 110.57 172.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.877 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.5 mp -77.31 136.96 38.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.928 1.347 . . . . 0.0 111.962 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.93 43.29 Favored Glycine 0 C--O 1.245 0.79 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.544 -175.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.893 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -135.86 129.28 32.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.334 1.064 . . . . 0.0 110.943 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.461 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -78.72 134.73 37.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.261 1.029 . . . . 0.0 110.798 -172.289 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.582 HD13 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -131.02 144.41 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.045 0.926 . . . . 0.0 111.599 -172.235 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.843 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -97.19 -174.23 2.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.696 1.236 . . . . 0.0 111.587 -173.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.107 HD12 ' HD2' ' A' ' 98' ' ' PHE . 1.2 mm? -151.53 78.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.706 -173.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.29 101.87 14.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.604 1.193 . . . . 0.0 110.308 -176.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.014 HG23 ' CD ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -77.28 -80.71 0.04 OUTLIER Pre-proline 0 C--O 1.259 1.554 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.92 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 1.014 ' CD ' HG23 ' A' ' 21' ' ' ILE . 10.9 Cg_endo -90.74 161.01 4.18 Favored 'Trans proline' 0 N--CA 1.531 3.687 1 C-N-CA 126.979 5.119 . . . . 0.0 116.721 -172.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -92.07 23.75 3.61 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.712 169.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -94.16 176.21 6.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.335 1.064 . . . . 0.0 111.379 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -140.49 81.89 1.83 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.038 0.923 . . . . 0.0 110.84 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.26 156.62 3.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.0 0.905 . . . . 0.0 111.151 -173.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 t -141.65 -121.63 0.1 Allowed 'General case' 0 C--O 1.254 1.293 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.253 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -21.52 24.45 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 120.747 -1.221 . . . . 0.0 111.989 -173.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 88' ' ' THR . 3.7 m-20 -80.64 -26.9 37.41 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.0 -1.062 . . . . 0.0 113.184 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 93' ' ' VAL . 3.0 mm -88.56 136.99 22.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.982 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.855 -174.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -133.28 -40.77 0.9 Allowed 'General case' 0 C--O 1.258 1.508 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.641 ' C ' HD12 ' A' ' 33' ' ' ILE . 72.2 m-20 -107.71 138.2 44.37 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 120.481 -1.387 . . . . 0.0 112.35 -171.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.918 ' HA ' HG23 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -120.19 158.63 22.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.027 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 172.746 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -155.15 146.06 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.316 1.532 . . . . 0.0 112.253 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.899 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 54.4 m95 -146.47 126.2 13.45 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.342 173.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.88 165.66 21.58 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.549 -0.72 . . . . 0.0 110.968 -173.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -88.34 99.67 12.42 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.467 -0.771 . . . . 0.0 109.548 172.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 1.005 HG21 HG22 ' A' ' 80' ' ' ILE . 1.2 p -35.61 -50.75 0.62 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -62.68 -73.87 0.1 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.616 0.722 . . . . 0.0 112.077 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.76 18.89 4.35 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -172.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 51.3 63.37 2.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.165 1.46 . . . . 0.0 110.121 172.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.515 ' O ' HG23 ' A' ' 44' ' ' ILE . 4.8 ttmt -118.54 88.87 3.01 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 123.061 1.41 . . . . 0.0 111.813 -172.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.539 ' HB2' ' CD ' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -45.27 102.22 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 173.568 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -93.16 -39.5 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 122.181 0.991 . . . . 0.0 110.962 179.054 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.744 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -144.73 132.85 21.56 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.729 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.539 ' CD ' ' HB2' ' A' ' 43' ' ' LYS . 2.6 mt-30 -158.3 151.92 23.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.886 1.327 . . . . 0.0 112.217 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.487 ' CD1' HG22 ' A' ' 53' ' ' THR . 1.2 m-30 -130.38 108.13 9.76 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.681 173.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -129.96 101.67 5.95 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.609 -0.682 . . . . 0.0 111.121 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.41 153.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.563 1.649 . . . . 0.0 110.47 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.61 40.02 0.87 Allowed 'General case' 0 C--O 1.25 1.093 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.347 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -116.45 -6.99 11.72 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.496 1.141 . . . . 0.0 114.028 172.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 6.6 tt0 176.99 119.43 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.989 -176.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.487 HG22 ' CD1' ' A' ' 47' ' ' PHE . 3.3 p -108.72 174.39 5.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.725 0.774 . . . . 0.0 111.001 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HE2' ' O ' ' A' ' 43' ' ' LYS . 3.7 t80 -135.95 99.78 4.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.962 0.887 . . . . 0.0 111.38 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -155.39 68.83 0.68 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.072 0.939 . . . . 0.0 110.484 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -3.62 31.05 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.518 -172.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.637 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -156.77 146.07 20.44 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 120.822 -1.174 . . . . 0.0 111.34 177.305 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -68.07 -24.74 65.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.481 0.658 . . . . 0.0 112.707 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.1 t -49.85 -22.77 1.58 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.705 0.764 . . . . 0.0 110.745 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.691 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 2.5 m-30 -147.91 78.08 1.43 Allowed 'General case' 0 C--O 1.244 0.763 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 172.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.508 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -104.77 152.64 22.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.885 0.85 . . . . 0.0 111.875 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.744 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 4.4 mt -92.93 -177.09 4.4 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.784 0.802 . . . . 0.0 111.119 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.712 ' CD1' HG22 ' A' ' 67' ' ' THR . 2.6 m-85 -144.2 167.33 22.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.915 0.864 . . . . 0.0 110.804 173.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -68.47 -31.56 70.94 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.654 0.74 . . . . 0.0 111.271 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -89.55 11.26 20.08 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.679 -0.638 . . . . 0.0 112.247 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.58 63.87 Favored Glycine 0 C--O 1.252 1.231 0 O-C-N 120.791 -1.193 . . . . 0.0 113.18 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.712 HG22 ' CD1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -89.97 157.68 17.73 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 119.433 1.617 . . . . 0.0 111.201 -176.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.2 tp -126.42 152.39 46.43 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 121.581 -0.7 . . . . 0.0 110.415 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.706 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -132.04 157.63 43.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.945 0.879 . . . . 0.0 111.024 176.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.896 HG22 HD21 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -134.86 113.75 16.65 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 110.886 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 21.4 tttm -85.31 137.61 32.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.615 0.721 . . . . 0.0 111.887 -173.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.599 ' O ' HD22 ' A' ' 73' ' ' LEU . 18.7 t60 59.91 97.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.475 1.607 . . . . 0.0 110.316 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.896 HD21 HG22 ' A' ' 70' ' ' ILE . 1.9 mm? -130.97 83.75 2.14 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -168.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.11 -175.48 4.82 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 120.856 -1.153 . . . . 0.0 110.459 167.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.1 m -61.29 -25.72 67.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.281 1.039 . . . . 0.0 112.179 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -37.0 51.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.053 0.93 . . . . 0.0 110.892 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.54 ' CB ' ' HA ' ' A' ' 73' ' ' LEU . 5.1 m-20 -74.19 -1.34 19.99 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.654 173.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.848 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -82.4 129.73 34.95 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 120.76 -1.212 . . . . 0.0 111.086 172.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.94 170.79 16.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.316 1.055 . . . . 0.0 111.337 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.005 HG22 HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER -90.18 139.14 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.601 173.535 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.983 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 25.5 m-85 -134.04 161.52 34.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.42 1.105 . . . . 0.0 110.911 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -146.5 136.18 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.796 0.807 . . . . 0.0 110.656 174.319 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.022 HG22 HD11 ' A' ' 85' ' ' ILE . 7.7 p -112.37 117.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 122.68 1.228 . . . . 0.0 111.086 -173.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.478 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 62.5 p -122.33 121.12 35.98 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.259 174.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.022 HD11 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -131.01 114.34 26.62 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 121.95 -0.469 . . . . 0.0 109.929 -172.692 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 5.4 m-30 -110.8 156.69 20.74 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.682 -1.261 . . . . 0.0 112.415 -167.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.698 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.9 p30 -81.33 -175.54 5.52 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 122.051 0.929 . . . . 0.0 111.176 174.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASP . 71.2 p -56.93 -32.31 65.83 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 121.629 -0.669 . . . . 0.0 112.21 -173.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -94.98 30.66 2.05 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.189 -0.944 . . . . 0.0 112.388 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.86 19.79 59.09 Favored Glycine 0 C--O 1.246 0.858 0 O-C-N 121.227 -0.921 . . . . 0.0 112.401 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 136.87 32.78 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.443 -1.034 . . . . 0.0 111.316 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.7 p30 -74.36 92.23 2.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.17 0.986 . . . . 0.0 110.786 173.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.706 HG21 HD11 ' A' ' 30' ' ' ILE . 1.9 m -77.27 -16.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.726 -178.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.549 HD21 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -179.64 149.04 0.36 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.821 0.82 . . . . 0.0 110.977 176.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.78 170.05 23.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.78 0.8 . . . . 0.0 110.995 -173.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.625 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -175.07 168.56 3.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.037 0.923 . . . . 0.0 111.084 179.149 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.512 HD12 HD22 ' A' ' 5' ' ' ASN . 0.0 OUTLIER -123.69 114.93 43.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-O 121.312 0.577 . . . . 0.0 110.979 -173.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 1.107 ' HD2' HD12 ' A' ' 19' ' ' LEU . 5.3 m-30 -111.75 173.21 6.46 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 120.979 -1.076 . . . . 0.0 112.039 -171.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.45 ' OD1' HG12 ' A' ' 80' ' ' ILE . 13.6 t0 -162.96 108.66 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.027 0.918 . . . . 0.0 110.965 -172.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.983 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -76.98 125.54 29.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.584 0.707 . . . . 0.0 110.86 -178.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 161.81 19.97 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 124.297 1.999 . . . . 0.0 113.77 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -124.95 158.93 32.3 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.61 169.143 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.787 0 CA-C-O 123.113 1.435 . . . . 0.0 112.713 -171.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 C--O 1.238 0.462 0 CA-C-O 123.047 1.403 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.74 171.91 7.72 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.963 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.886 HD12 ' CE1' ' A' ' 98' ' ' PHE . 26.1 mt -124.62 108.25 11.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.177 0.989 . . . . 0.0 111.389 -173.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.73 107.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.86 0.838 . . . . 0.0 111.03 -175.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.4 137.63 50.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.628 0.728 . . . . 0.0 110.721 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -136.73 142.51 43.06 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 121.454 0.645 . . . . 0.0 111.306 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.636 ' HA3' HD12 ' A' ' 73' ' ' LEU . . . -160.44 132.05 2.82 Favored Glycine 0 C--O 1.243 0.7 0 O-C-N 121.251 -0.905 . . . . 0.0 111.78 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.48 155.28 29.71 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 121.456 -1.026 . . . . 0.0 110.512 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.1 mp -62.28 135.71 57.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.739 1.257 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.93 34.73 33.11 Favored Glycine 0 C--O 1.241 0.543 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.518 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.697 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -131.54 116.04 16.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.133 0.968 . . . . 0.0 110.825 -172.361 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.451 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -78.5 132.93 37.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.517 1.151 . . . . 0.0 110.889 -173.247 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.708 ' CD1' HD13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -125.8 175.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 122.792 1.282 . . . . 0.0 112.177 -171.149 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.424 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -129.1 126.25 38.95 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.974 173.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.897 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.4 OUTLIER -79.72 102.3 8.92 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.845 0.831 . . . . 0.0 110.142 172.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.39 -155.98 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.952 0.882 . . . . 0.0 111.028 -171.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.989 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.0 151.26 10.41 Favored Pre-proline 0 C--O 1.242 0.707 0 CA-C-O 121.424 0.631 . . . . 0.0 110.766 -172.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.989 ' HD2' HG12 ' A' ' 21' ' ' ILE . 22.8 Cg_exo -43.93 177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.633 4.889 . . . . 0.0 115.491 176.236 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.32 31.84 0.98 Allowed 'General case' 0 C--O 1.246 0.903 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.68 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.82 149.63 23.65 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 121.379 -0.825 . . . . 0.0 110.75 173.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -134.07 119.74 19.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.865 0.84 . . . . 0.0 111.187 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.42 170.35 1.02 Allowed 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.493 0.663 . . . . 0.0 110.919 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -131.37 -125.93 0.2 Allowed 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.546 -0.722 . . . . 0.0 110.444 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -90.75 -10.5 42.72 Favored 'General case' 0 C--O 1.261 1.665 0 O-C-N 120.617 -1.302 . . . . 0.0 112.553 -171.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 88' ' ' THR . 23.8 m-20 -108.37 -5.94 16.47 Favored 'General case' 0 C--O 1.258 1.534 0 O-C-N 120.344 -1.473 . . . . 0.0 113.784 -170.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.24 130.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.74 -178.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.14 -30.33 1.76 Allowed 'General case' 0 C--O 1.257 1.496 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -113.15 149.8 33.09 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.697 -1.252 . . . . 0.0 111.217 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.034 HG21 HD11 ' A' ' 62' ' ' LEU . 4.1 mp -135.83 161.82 37.71 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.729 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 36' ' ' GLU . 14.3 ttpt -157.87 147.99 20.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.723 1.725 . . . . 0.0 112.818 173.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.897 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 47.7 m95 -147.61 109.62 4.5 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.082 173.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 5.3 tt0 -107.29 162.89 13.49 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.736 -0.603 . . . . 0.0 110.797 -173.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.7 ttpm? -90.04 83.26 6.08 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.561 -0.712 . . . . 0.0 109.638 173.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 81' ' ' TYR . 1.1 p -22.49 -62.55 0.04 OUTLIER 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.134 1.373 . . . . 0.0 113.88 -169.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -54.78 24.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.937 0.875 . . . . 0.0 111.068 -175.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.48 -7.66 48.93 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -175.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt 48.45 48.69 19.07 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.621 -1.299 . . . . 0.0 111.009 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -119.99 97.07 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 123.305 1.526 . . . . 0.0 112.228 -173.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.774 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -45.49 102.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 CA-C-O 122.463 1.125 . . . . 0.0 111.589 173.523 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.871 HD12 ' CE1' ' A' ' 60' ' ' TYR . 7.5 pt -93.15 -26.06 4.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.576 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -154.04 144.06 21.96 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.453 -0.78 . . . . 0.0 110.794 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.409 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 6.0 pt20 -171.78 153.28 3.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.784 1.278 . . . . 0.0 112.055 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.974 ' CE1' HG21 ' A' ' 53' ' ' THR . 0.2 OUTLIER -120.71 115.75 23.93 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.803 173.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.428 ' HG2' ' HG3' ' A' ' 49' ' ' LYS . 11.4 ttt85 -155.82 134.32 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.561 0.696 . . . . 0.0 110.659 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 1.5 mtpp 66.83 134.22 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.609 0.719 . . . . 0.0 110.537 -172.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.66 33.83 0.91 Allowed 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.571 -0.706 . . . . 0.0 111.892 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.5 -9.69 7.42 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 173.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 176.02 112.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.24 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.974 HG21 ' CE1' ' A' ' 47' ' ' PHE . 16.6 p -112.48 -176.63 2.96 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.626 0.727 . . . . 0.0 111.265 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.468 ' HE1' ' O ' ' A' ' 44' ' ' ILE . 32.0 t80 -132.22 89.94 2.74 Favored 'General case' 0 C--O 1.251 1.183 0 O-C-N 121.626 -0.671 . . . . 0.0 111.192 -174.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.82 10.71 0.14 Allowed 'General case' 0 C--O 1.257 1.467 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -174.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.64 83.81 6.74 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 120.13 1.332 . . . . 0.0 112.028 -173.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.623 ' HB2' HG22 ' A' ' 59' ' ' THR . 7.1 ptmt 179.39 149.75 0.29 Allowed 'General case' 0 C--O 1.257 1.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.552 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.4 -28.64 24.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.325 1.059 . . . . 0.0 112.249 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 57' ' ' LYS . 6.4 t -51.23 -32.61 24.68 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.307 174.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.871 ' CE1' HD12 ' A' ' 44' ' ' ILE . 87.1 m-85 -150.54 105.8 3.35 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.117 172.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.609 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -106.8 160.93 15.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.55 1.167 . . . . 0.0 111.656 178.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.034 HD11 HG21 ' A' ' 33' ' ' ILE . 2.5 tp -120.01 124.84 46.88 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 124.354 1.062 . . . . 0.0 110.387 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.872 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 59.9 m-85 -111.78 171.68 7.35 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.673 -1.267 . . . . 0.0 111.252 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.01 67.22 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.822 0.82 . . . . 0.0 110.965 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.746 ' O ' HG21 ' A' ' 21' ' ' ILE . 12.4 p30 -79.05 0.9 26.0 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 121.715 -0.616 . . . . 0.0 112.049 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 23.39 38.25 Favored Glycine 0 C--O 1.25 1.118 0 O-C-N 120.871 -1.143 . . . . 0.0 112.245 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.72 HG22 ' HD2' ' A' ' 63' ' ' PHE . 3.3 m -89.99 158.92 17.14 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.002 -1.293 . . . . 0.0 110.801 173.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 2.5 tp -133.74 104.21 6.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.036 0.922 . . . . 0.0 111.4 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.872 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 14.7 tttt -87.0 102.77 14.72 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 121.689 -0.632 . . . . 0.0 110.779 -173.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.708 HD13 ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -117.26 131.41 70.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 123.231 1.491 . . . . 0.0 109.402 -173.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 23.1 tttp -100.44 155.48 17.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.335 -171.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 60.61 107.21 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.207 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 73' ' ' LEU . 1.6 tm? -134.91 69.91 1.45 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.5 -172.49 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.977 0.894 . . . . 0.0 110.623 168.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.454 ' HA ' HG13 ' A' ' 102' ' ' ILE . 64.4 m -55.52 -27.84 51.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.181 0.991 . . . . 0.0 112.546 175.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -30.22 30.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.113 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.66 11.12 40.04 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.482 ' HB2' HD11 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -90.66 85.35 6.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.84 -1.162 . . . . 0.0 111.138 174.14 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 80' ' ' ILE . 3.1 m-20 -100.53 171.42 7.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.239 1.019 . . . . 0.0 111.147 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.7 HG23 ' HB3' ' A' ' 99' ' ' ASP . 0.5 OUTLIER -95.55 147.67 5.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.868 172.698 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.867 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 59.3 m-85 -139.77 164.22 30.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.441 1.115 . . . . 0.0 111.607 -171.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.443 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 32.1 ttmt -153.69 131.82 11.84 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.927 0.87 . . . . 0.0 110.83 174.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.036 HG22 HD11 ' A' ' 85' ' ' ILE . 4.5 p -105.58 119.68 55.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 122.438 1.113 . . . . 0.0 111.356 -173.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.09 122.2 37.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.775 0.798 . . . . 0.0 110.303 173.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.036 HD11 HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -131.41 120.86 47.11 Favored 'Isoleucine or valine' 0 C--O 1.255 1.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.912 -173.353 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.496 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -118.03 168.57 10.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.897 1.332 . . . . 0.0 112.405 -167.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.484 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 9.1 p30 -89.19 -174.78 4.55 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.361 1.077 . . . . 0.0 110.998 176.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASP . 68.7 p -56.58 -24.07 44.98 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.421 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -99.38 25.47 6.93 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.952 -1.093 . . . . 0.0 112.581 -172.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.55 15.19 56.97 Favored Glycine 0 C--O 1.248 1.016 0 O-C-N 121.123 -0.986 . . . . 0.0 111.946 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 11.1 mttt -90.32 119.83 30.94 Favored 'General case' 0 C--O 1.246 0.891 0 O-C-N 121.174 -1.192 . . . . 0.0 111.45 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -60.46 93.47 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.381 1.086 . . . . 0.0 110.648 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 91' ' ' LYS . 1.6 m -84.92 -11.96 11.49 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.453 0.644 . . . . 0.0 112.422 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tp -167.08 149.5 6.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.106 0.955 . . . . 0.0 110.846 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.7 152.94 36.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.926 0.869 . . . . 0.0 111.099 -173.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 1.1 tptm -161.88 162.66 29.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.817 0.817 . . . . 0.0 111.079 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.1 mt -117.76 148.31 20.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.585 0.707 . . . . 0.0 110.978 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.886 ' CE1' HD12 ' A' ' 7' ' ' LEU . 6.4 m-85 -137.37 174.73 10.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.156 0.979 . . . . 0.0 111.116 -178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.7 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -170.17 102.87 0.29 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.528 0.68 . . . . 0.0 111.019 174.142 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.816 HD13 HD21 ' A' ' 19' ' ' LEU . 1.2 tp -54.02 146.1 15.31 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.673 0.749 . . . . 0.0 111.044 174.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.56 171.55 12.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.51 1.148 . . . . 0.0 111.342 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 13' ' ' LEU . 32.5 mm -126.37 146.17 32.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.211 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.783 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -172.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.238 0.469 0 CA-C-O 123.081 1.42 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.62 171.34 8.64 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.02 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.91 HD12 ' CE2' ' A' ' 98' ' ' PHE . 13.8 mt -132.99 100.89 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.593 1.187 . . . . 0.0 111.364 -173.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.3 107.92 0.42 Allowed 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.037 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.94 146.64 32.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.849 0.833 . . . . 0.0 110.98 176.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -142.92 147.4 35.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.647 0.736 . . . . 0.0 110.842 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.734 ' HA3' HD11 ' A' ' 73' ' ' LEU . . . -154.53 175.92 32.49 Favored Glycine 0 C--O 1.239 0.455 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -174.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.722 ' N ' HD12 ' A' ' 73' ' ' LEU . . . -126.86 128.83 47.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.948 0.88 . . . . 0.0 111.04 -174.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.725 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -46.86 122.18 4.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.372 1.558 . . . . 0.0 110.767 174.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.725 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 85.31 49.53 4.39 Favored Glycine 0 C--O 1.254 1.35 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.426 -172.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.796 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -142.0 -179.43 6.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 120.851 -1.381 . . . . 0.0 111.155 -173.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.796 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -135.75 121.32 19.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.232 1.015 . . . . 0.0 109.339 169.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.005 HG21 HD11 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -120.17 157.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.711 1.243 . . . . 0.0 112.719 -169.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.59 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.68 167.72 9.93 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 123.424 1.583 . . . . 0.0 112.081 173.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.843 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -123.48 90.54 3.3 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 124.328 1.051 . . . . 0.0 109.979 172.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -154.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.756 0.789 . . . . 0.0 111.238 -170.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 94' ' ' LEU . 3.4 tp -169.56 155.21 5.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 121.383 0.611 . . . . 0.0 110.951 -172.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 1.011 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 23.1 Cg_exo -44.47 -172.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.303 1 C-N-CA 126.939 5.092 . . . . 0.0 115.465 174.084 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -87.88 30.94 0.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.574 -1.193 . . . . 0.0 112.186 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.682 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -121.14 139.46 53.32 Favored 'General case' 0 C--O 1.244 0.785 0 O-C-N 121.555 -0.716 . . . . 0.0 110.615 172.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.682 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -159.57 161.2 35.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.282 1.039 . . . . 0.0 111.437 -174.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.548 ' CE ' HD11 ' A' ' 33' ' ' ILE . 15.5 ptp -70.6 164.93 23.88 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.319 1.057 . . . . 0.0 112.718 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m -156.38 -109.14 0.03 OUTLIER 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.701 -0.625 . . . . 0.0 110.033 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -88.77 -15.28 35.07 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 121.503 -0.748 . . . . 0.0 112.181 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.48 -29.97 9.86 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.744 -1.223 . . . . 0.0 113.484 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -85.08 153.36 3.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 121.658 0.742 . . . . 0.0 110.965 -173.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.683 ' OD1' HG22 ' A' ' 88' ' ' THR . 0.3 OUTLIER -137.18 -29.56 0.89 Allowed 'General case' 0 C--O 1.261 1.708 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -172.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -124.98 153.0 43.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 120.572 1.533 . . . . 0.0 111.648 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.865 HG23 HG23 ' A' ' 85' ' ' ILE . 1.6 mt -133.72 160.11 42.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.895 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.839 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.666 ' HG3' ' HG2' ' A' ' 46' ' ' GLN . 6.1 tttm -158.73 144.03 16.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.467 1.603 . . . . 0.0 112.183 176.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.843 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 36.1 m95 -131.94 130.11 41.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.472 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 33.9 tt0 -114.58 159.46 20.4 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.608 -0.683 . . . . 0.0 110.873 -173.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.861 ' NZ ' ' HB2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -104.23 149.16 25.54 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.306 0.574 . . . . 0.0 109.971 -178.377 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.988 HG21 ' CG2' ' A' ' 80' ' ' ILE . 19.8 p -84.72 -53.0 5.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.725 0.774 . . . . 0.0 112.063 -172.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.5 m -44.98 -58.63 3.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.718 0.771 . . . . 0.0 112.095 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.861 ' HB2' ' NZ ' ' A' ' 37' ' ' LYS . 1.6 m-20 -105.88 -0.6 25.02 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HG3' ' OE2' ' A' ' 36' ' ' GLU . 31.2 tttt 57.52 58.58 3.7 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 120.923 -1.111 . . . . 0.0 110.307 -173.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.0 ttmt -142.04 141.56 32.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 123.747 1.737 . . . . 0.0 112.109 -172.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.508 ' HB3' ' HE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.47 151.46 0.17 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 123.322 1.534 . . . . 0.0 112.802 -172.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 1.8 mt -128.69 -53.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 122.834 1.302 . . . . 0.0 110.624 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.751 ' CB ' HD13 ' A' ' 62' ' ' LEU . . . -149.71 145.08 26.49 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.397 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.666 ' HG2' ' HG3' ' A' ' 34' ' ' LYS . 14.4 mt-30 -156.13 157.61 36.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.56 1.648 . . . . 0.0 112.892 175.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.719 ' HE1' HG21 ' A' ' 53' ' ' THR . 3.7 m-85 -129.61 130.25 45.4 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.536 172.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -151.14 121.67 7.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.573 -0.704 . . . . 0.0 110.792 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.48 154.27 0.12 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.196 0.998 . . . . 0.0 110.356 -173.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.73 47.67 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.242 1.496 . . . . 0.0 110.686 172.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -124.63 -94.87 0.47 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.872 1.32 . . . . 0.0 109.105 -174.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -117.74 144.17 45.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.698 172.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.719 HG21 ' HE1' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -107.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.143 0.973 . . . . 0.0 112.012 -172.216 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.508 ' HE2' ' HB3' ' A' ' 43' ' ' LYS . 6.5 t80 -123.52 100.97 7.07 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.642 0.734 . . . . 0.0 111.263 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.08 107.43 4.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.747 0.784 . . . . 0.0 111.113 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.4 -38.87 48.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.755 0.788 . . . . 0.0 111.107 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.769 ' HB3' HG22 ' A' ' 59' ' ' THR . 15.0 tptt -165.62 172.64 11.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.797 0.808 . . . . 0.0 110.954 -174.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.87 -30.02 69.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.079 0.942 . . . . 0.0 112.364 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.769 HG22 ' HB3' ' A' ' 57' ' ' LYS . 8.8 t -50.69 -19.27 0.89 Allowed 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.989 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE1' HG23 ' A' ' 70' ' ' ILE . 11.4 m-85 -150.45 101.48 2.96 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 121.391 -0.818 . . . . 0.0 111.261 172.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HE3' ' O ' ' A' ' 62' ' ' LEU . 6.2 tttp -133.29 148.43 51.93 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.937 -1.102 . . . . 0.0 112.359 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.751 HD13 ' CB ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -92.68 159.64 15.35 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.469 0.652 . . . . 0.0 111.432 -176.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 86.8 m-85 -129.07 176.65 7.73 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.932 0.872 . . . . 0.0 111.13 173.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.6 -38.61 77.35 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.317 -0.864 . . . . 0.0 111.019 -176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.509 ' O ' HG21 ' A' ' 21' ' ' ILE . 14.5 p30 -79.88 3.25 20.34 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.66 -0.65 . . . . 0.0 112.127 -174.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.68 23.72 48.97 Favored Glycine 0 C--O 1.251 1.16 0 O-C-N 120.85 -1.156 . . . . 0.0 112.284 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.594 HG22 ' CD2' ' A' ' 63' ' ' PHE . 2.3 m -90.22 160.86 15.99 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 120.92 -1.341 . . . . 0.0 110.925 173.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.823 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.9 tp -132.35 116.49 16.93 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.108 -0.995 . . . . 0.0 111.282 172.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.651 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 1.9 tptt -81.82 118.74 23.13 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.694 0.759 . . . . 0.0 111.283 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.707 HD11 ' HG ' ' A' ' 19' ' ' LEU . 2.3 mt -111.38 111.41 36.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.535 0.683 . . . . 0.0 110.189 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -80.31 152.6 28.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.804 0.811 . . . . 0.0 110.943 175.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER 61.58 122.07 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.671 1.701 . . . . 0.0 110.897 -172.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 100' ' ' LEU . 2.6 tm? -135.62 61.74 1.65 Allowed 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.995 1.379 . . . . 0.0 111.639 -171.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.721 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.0 -175.0 2.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 122.827 1.299 . . . . 0.0 112.498 173.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.4 m -56.98 -28.29 62.21 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.161 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.06 -43.69 14.84 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.209 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.77 -13.09 62.11 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.87 -0.519 . . . . 0.0 111.856 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.423 ' CG ' HG12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -82.4 115.79 21.58 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.02 -1.05 . . . . 0.0 111.003 -178.226 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.9 177.33 8.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.444 1.116 . . . . 0.0 111.167 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.988 ' CG2' HG21 ' A' ' 38' ' ' THR . 8.0 mt -101.53 149.37 6.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.86 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 172.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 1.037 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 16.3 m-85 -139.85 172.82 12.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 122.017 0.913 . . . . 0.0 110.967 -171.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -151.39 122.28 7.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.942 0.877 . . . . 0.0 110.834 173.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.516 ' CG2' HD11 ' A' ' 85' ' ' ILE . 4.6 p -97.3 115.55 37.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.683 1.23 . . . . 0.0 111.121 -173.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -123.29 111.7 16.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.713 0.768 . . . . 0.0 110.354 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.865 HG23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -124.73 124.9 68.99 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.853 -173.029 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.08 -179.94 3.98 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 120.467 -1.396 . . . . 0.0 112.51 -167.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.76 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.4 p-10 -99.32 -168.5 1.62 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.296 1.046 . . . . 0.0 110.688 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.683 HG22 ' OD1' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -62.98 -34.2 77.02 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.329 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -92.34 15.45 13.82 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.643 -0.66 . . . . 0.0 112.392 -173.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.83 23.43 78.01 Favored Glycine 0 C--O 1.25 1.131 0 O-C-N 120.862 -1.149 . . . . 0.0 112.568 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.76 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 5.7 mmmt -90.66 125.11 35.56 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 121.024 -1.28 . . . . 0.0 111.22 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.54 88.89 0.14 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.82 0.819 . . . . 0.0 110.32 172.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 91' ' ' LYS . 6.2 m -84.51 -26.82 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 122.433 1.111 . . . . 0.0 112.363 -173.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -138.93 143.29 38.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.569 1.176 . . . . 0.0 110.189 176.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.878 ' N ' HD23 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -158.66 152.03 22.89 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.431 -172.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.87 ' HG3' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -174.13 150.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.007 0.908 . . . . 0.0 110.991 -178.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.5 151.34 7.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.91 ' CE2' HD12 ' A' ' 7' ' ' LEU . 2.8 m-85 -134.9 166.11 23.76 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.592 -0.693 . . . . 0.0 111.101 -176.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.764 ' OD2' HG12 ' A' ' 80' ' ' ILE . 3.5 m-20 -149.68 90.16 1.68 Allowed 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.608 -0.683 . . . . 0.0 111.236 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.037 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -66.05 125.94 27.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.843 0.83 . . . . 0.0 110.747 177.428 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 166.67 16.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.653 1.216 . . . . 0.0 112.091 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.553 ' CD1' HD13 ' A' ' 73' ' ' LEU . 4.3 mm -124.0 144.38 33.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.805 170.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 26.8 tt0 . . . . . 0 C--N 1.318 -0.77 0 CA-C-O 124.98 2.324 . . . . 0.0 110.453 -172.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.557 ' O ' HD12 ' A' ' 97' ' ' ILE . 13.5 p30 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 121.28 0.562 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.06 172.75 14.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 123.296 1.522 . . . . 0.0 112.22 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.061 HD23 ' CE2' ' A' ' 98' ' ' PHE . 15.7 tp -139.32 122.01 16.39 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.934 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 117.79 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.522 0.677 . . . . 0.0 111.083 175.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.457 ' HB ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -118.83 116.18 25.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.644 0.735 . . . . 0.0 110.557 -176.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -104.01 156.13 18.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.195 0.998 . . . . 0.0 112.501 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.31 -174.49 30.17 Favored Glycine 0 C--O 1.239 0.446 0 CA-C-O 122.378 0.988 . . . . 0.0 111.595 173.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.0 158.83 43.34 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 121.739 -0.859 . . . . 0.0 110.389 173.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 102' ' ' ILE . 3.5 mp -79.31 138.06 37.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.712 1.72 . . . . 0.0 113.186 -172.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.93 34.33 38.54 Favored Glycine 0 N--CA 1.466 0.65 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -173.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.582 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 4.0 tp60 -164.58 152.95 12.47 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 124.679 2.18 . . . . 0.0 115.13 -168.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.582 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -79.39 157.32 27.63 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 123.506 1.622 . . . . 0.0 112.546 -171.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.457 HD11 ' HB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -146.04 139.47 20.82 Favored 'Isoleucine or valine' 0 C--O 1.25 1.094 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.96 172.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -104.27 158.35 16.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.56 1.648 . . . . 0.0 112.593 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.097 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -117.65 69.07 0.77 Allowed 'General case' 0 C--O 1.242 0.704 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.703 -177.124 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.41 104.54 14.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.508 1.147 . . . . 0.0 109.867 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.031 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -96.36 -54.75 0.21 Allowed Pre-proline 0 C--O 1.264 1.853 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -169.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 1.031 ' HD3' HG23 ' A' ' 21' ' ' ILE . 25.3 Cg_endo -80.45 142.27 14.63 Favored 'Trans proline' 1 N--CA 1.536 4.009 1 C-N-CA 126.124 4.549 . . . . 0.0 117.893 -170.728 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 t -93.69 21.37 6.49 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 124.08 0.952 . . . . 0.0 111.06 172.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -123.33 172.27 8.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.212 1.006 . . . . 0.0 111.735 -170.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.2 106.57 6.44 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.892 0.853 . . . . 0.0 110.882 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.17 159.93 1.18 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.306 1.05 . . . . 0.0 111.282 -173.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.71 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.8 1.286 . . . . 0.0 112.053 -173.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.58 -98.22 0.03 OUTLIER 'General case' 0 C--O 1.254 1.332 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.937 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.851 ' O ' HG23 ' A' ' 88' ' ' THR . 3.8 m-20 -127.44 16.98 7.06 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.834 -1.166 . . . . 0.0 112.46 -172.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.501 HD12 HG21 ' A' ' 93' ' ' VAL . 9.5 mm -64.38 124.71 19.71 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 O-C-N 120.989 -1.069 . . . . 0.0 110.693 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -123.82 -39.16 2.42 Favored 'General case' 0 C--O 1.258 1.532 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -172.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.46 151.04 29.04 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.535 -1.353 . . . . 0.0 111.868 -171.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.906 ' HA ' HG23 ' A' ' 85' ' ' ILE . 2.5 mt -140.76 117.01 7.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.815 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.31 150.79 39.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.595 1.188 . . . . 0.0 111.371 -173.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 1.097 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.3 m95 -146.43 117.21 7.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.644 173.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.62 ' C ' HD12 ' A' ' 44' ' ' ILE . 4.0 mt-10 -105.2 162.28 13.54 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.397 0.618 . . . . 0.0 110.8 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.922 ' HB2' HD11 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -101.09 107.93 19.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.624 0.726 . . . . 0.0 109.806 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 1.094 ' CG2' HG22 ' A' ' 80' ' ' ILE . 6.4 p -50.38 -35.11 26.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.269 -171.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.4 m -53.37 -76.02 0.03 OUTLIER 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.561 0.696 . . . . 0.0 111.35 -173.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.53 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -95.95 12.26 31.0 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 121.657 -0.652 . . . . 0.0 111.974 -177.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.38 56.14 8.13 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.986 -1.071 . . . . 0.0 110.219 -173.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.1 mmmt -134.8 128.82 33.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.977 1.37 . . . . 0.0 111.221 -173.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -43.08 152.65 0.11 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 123.923 1.82 . . . . 0.0 113.413 -172.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.922 HD11 ' HB2' ' A' ' 37' ' ' LYS . 39.8 mt -130.65 -49.31 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 122.744 1.259 . . . . 0.0 110.595 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -154.37 134.4 13.11 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.341 -174.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.51 145.86 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.062 1.411 . . . . 0.0 112.627 -173.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.536 ' HD1' HG22 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.1 137.47 49.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.59 172.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.61 86.58 0.31 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.486 0.66 . . . . 0.0 110.89 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 65.85 155.67 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.541 1.162 . . . . 0.0 110.131 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.79 44.32 1.11 Allowed 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.33 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.64 -10.09 14.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.742 1.258 . . . . 0.0 113.937 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 169.4 125.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.863 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.536 HG22 ' HD1' ' A' ' 47' ' ' PHE . 5.1 p -136.99 162.33 33.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.025 0.917 . . . . 0.0 111.234 -175.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -113.76 103.93 11.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.822 0.82 . . . . 0.0 110.947 -179.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -153.84 97.57 2.1 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.54 -54.67 6.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.577 0.703 . . . . 0.0 111.31 -175.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 176.69 12.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.331 1.063 . . . . 0.0 110.816 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.29 -35.63 75.99 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.895 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.439 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 89.3 m -54.04 -16.78 2.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.367 -173.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.627 ' HE1' ' CE1' ' A' ' 81' ' ' TYR . 28.2 m-85 -147.79 88.71 1.7 Allowed 'General case' 0 C--O 1.251 1.173 0 O-C-N 121.652 -0.655 . . . . 0.0 110.538 173.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.824 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -106.06 159.58 15.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.238 1.494 . . . . 0.0 112.156 -172.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.732 HD11 HG22 ' A' ' 33' ' ' ILE . 13.4 tp -117.53 129.81 56.03 Favored 'General case' 0 C--O 1.251 1.142 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.611 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.824 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 22.3 m-30 -101.68 174.01 6.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.294 1.045 . . . . 0.0 111.214 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -72.73 -33.62 66.52 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-O 121.735 0.779 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -84.56 2.98 38.8 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 121.829 -0.545 . . . . 0.0 112.185 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.683 ' HA2' HG21 ' A' ' 33' ' ' ILE . . . 87.19 18.3 57.72 Favored Glycine 0 C--O 1.251 1.186 0 O-C-N 120.822 -1.174 . . . . 0.0 112.774 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.623 ' HB ' ' HD2' ' A' ' 63' ' ' PHE . 2.8 m -90.14 146.88 23.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.851 -1.382 . . . . 0.0 110.921 173.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.723 HD23 ' HG ' ' A' ' 19' ' ' LEU . 1.4 tp -120.93 127.64 52.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 110.911 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.18 145.22 30.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.022 0.915 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.711 HD11 ' CE2' ' A' ' 81' ' ' TYR . 4.3 mt -112.75 98.76 7.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 171.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 24.1 tttt -77.11 134.82 38.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 124.038 1.875 . . . . 0.0 115.586 -167.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.7 t60 39.67 90.68 0.01 OUTLIER 'General case' 0 C--O 1.252 1.206 0 C-N-CA 125.886 1.674 . . . . 0.0 114.716 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.754 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -179.37 175.87 0.88 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 125.586 2.612 . . . . 0.0 114.975 170.7 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.601 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.51 -155.96 0.51 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-N 113.663 -1.608 . . . . 0.0 113.112 -172.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.447 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.7 m -45.4 -27.29 0.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 0.0 112.712 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -49.13 73.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 1.1 m-20 -70.83 -11.34 60.9 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.142 173.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 1.026 ' HG2' ' HB2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.92 100.72 13.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.621 1.2 . . . . 0.0 110.305 178.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.909 ' C ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -135.4 168.99 18.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.95 1.357 . . . . 0.0 111.563 178.701 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.094 HG22 ' CG2' ' A' ' 38' ' ' THR . 96.4 mt -84.45 142.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 122.65 1.214 . . . . 0.0 110.699 175.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.711 ' CE2' HD11 ' A' ' 70' ' ' ILE . 96.8 m-85 -137.38 168.76 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.941 0.877 . . . . 0.0 110.849 -172.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.47 ' CG ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -150.45 135.58 17.78 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 121.445 0.641 . . . . 0.0 110.429 173.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.095 HG23 HD11 ' A' ' 85' ' ' ILE . 1.4 p -117.74 128.32 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.596 1.189 . . . . 0.0 111.535 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.769 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 61.4 p -134.65 106.91 7.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.779 0.8 . . . . 0.0 110.494 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.095 HD11 HG23 ' A' ' 83' ' ' VAL . 2.1 mm -110.78 119.17 58.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.72 -173.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.769 ' HE1' ' HB2' ' A' ' 84' ' ' SER . 1.0 OUTLIER -110.03 171.02 7.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.905 1.336 . . . . 0.0 112.601 -167.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.635 ' HB3' HG11 ' A' ' 93' ' ' VAL . 41.3 p-10 -93.99 -168.4 1.87 Allowed 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.857 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 29' ' ' ASP . 36.8 p -59.46 -28.23 66.8 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.988 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -90.71 3.85 53.15 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 121.167 -0.958 . . . . 0.0 112.62 -173.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.08 1.94 90.45 Favored Glycine 0 C--O 1.252 1.275 0 O-C-N 120.734 -1.229 . . . . 0.0 112.75 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.748 -1.442 . . . . 0.0 111.902 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -72.45 86.06 1.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.819 0.819 . . . . 0.0 110.315 172.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 87' ' ' ASP . 1.7 m -77.31 -23.3 14.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.277 1.036 . . . . 0.0 112.629 -172.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -147.97 145.38 28.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.181 0.991 . . . . 0.0 109.598 173.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.952 ' N ' HD13 ' A' ' 94' ' ' LEU . 2.1 tm-20 -155.03 164.97 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.271 1.51 . . . . 0.0 112.899 -171.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.575 ' N ' ' HG2' ' A' ' 95' ' ' GLU . 5.3 mttp -178.4 158.1 1.08 Allowed 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.746 173.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -112.7 159.57 12.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 O-C-N 121.631 -0.668 . . . . 0.0 110.473 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 1.061 ' CE2' HD23 ' A' ' 7' ' ' LEU . 3.8 m-85 -138.48 168.5 19.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.763 1.268 . . . . 0.0 113.082 -171.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.758 ' CG ' HG12 ' A' ' 80' ' ' ILE . 4.0 t0 -157.36 113.85 2.95 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 122.609 1.195 . . . . 0.0 112.04 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.026 ' HB2' ' HG2' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -42.48 160.92 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.88 1.8 . . . . 0.0 115.38 173.253 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.846 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 4.3 mmpt? -159.79 171.37 19.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.261 -1.336 . . . . 0.0 110.582 165.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.717 HG21 ' CD1' ' A' ' 13' ' ' LEU . 3.3 mm -150.76 138.21 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 122.427 1.108 . . . . 0.0 109.491 169.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 122.799 1.285 . . . . 0.0 111.966 -170.649 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.65 ' O ' HD12 ' A' ' 97' ' ' ILE . 35.4 m-80 . . . . . 0 CA--C 1.511 -0.549 0 CA-C-O 122.019 0.914 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.4 172.9 17.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.248 1.023 . . . . 0.0 111.142 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.905 HD23 ' CD2' ' A' ' 98' ' ' PHE . 49.3 tp -138.58 95.94 3.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.886 0.85 . . . . 0.0 110.949 -176.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 103.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.851 0.834 . . . . 0.0 110.901 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.712 HG22 ' HA ' ' A' ' 100' ' ' LEU . 1.2 m -109.26 140.05 43.41 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.424 0.63 . . . . 0.0 110.502 -177.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.441 ' CE2' ' HD2' ' A' ' 101' ' ' LYS . 86.0 m95 -137.9 141.5 40.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.786 0.803 . . . . 0.0 111.659 -172.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.79 -136.95 2.94 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.914 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . . . -169.01 146.72 3.75 Favored 'General case' 0 C--O 1.241 0.65 0 O-C-N 121.647 -0.914 . . . . 0.0 111.579 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.998 HD13 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -66.33 122.17 16.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.959 1.838 . . . . 0.0 110.212 172.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.872 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 94.04 32.05 7.73 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.914 ' HG3' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -117.59 -173.96 2.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 124.568 2.128 . . . . 0.0 114.326 -169.553 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.56 120.59 6.68 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.966 171.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.658 HG22 HD11 ' A' ' 73' ' ' LEU . 15.5 tt -149.2 163.59 4.33 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.713 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -113.03 161.33 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.732 1.73 . . . . 0.0 112.859 -172.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.099 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -102.27 122.47 44.28 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.841 173.186 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.01 -155.23 0.46 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.979 0.895 . . . . 0.0 111.106 -171.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.994 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -168.95 150.58 4.53 Favored Pre-proline 0 C--O 1.245 0.835 0 CA-C-O 121.388 0.614 . . . . 0.0 110.584 -173.427 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 1.054 ' HG3' HD21 ' A' ' 94' ' ' LEU . 10.0 Cg_endo -46.84 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 127.041 5.161 . . . . 0.0 114.565 176.208 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.06 29.92 0.8 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.566 -174.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.71 123.99 49.85 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 121.647 -0.658 . . . . 0.0 110.06 171.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.96 151.08 39.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.58 1.181 . . . . 0.0 111.203 -172.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.832 ' HG2' HD12 ' A' ' 30' ' ' ILE . 2.5 mtp -89.58 164.77 14.63 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.997 0.903 . . . . 0.0 110.996 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 p -156.41 -120.86 0.03 OUTLIER 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.113 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.46 20.26 4.67 Favored 'General case' 0 C--O 1.254 1.305 0 O-C-N 120.842 -1.161 . . . . 0.0 111.828 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 88' ' ' THR . 97.7 m-20 -124.22 -45.46 1.97 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.532 1.158 . . . . 0.0 112.816 -173.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.832 HD12 ' HG2' ' A' ' 26' ' ' MET . 1.2 mt -73.1 135.53 27.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.691 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -21.25 4.37 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' A' ' 86' ' ' TYR . 5.2 t70 -122.81 143.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 123.059 1.409 . . . . 0.0 111.977 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.021 HG23 ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -132.38 155.65 41.63 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.487 173.501 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.609 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 4.9 mttp -157.61 142.63 16.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 123.254 1.502 . . . . 0.0 111.767 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 68' ' ' LEU . 38.3 m95 -142.34 120.82 12.44 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.55 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 43' ' ' LYS . 3.4 mt-10 -131.71 176.81 8.01 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 121.5 -0.75 . . . . 0.0 111.12 -173.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.642 ' HD3' ' HB3' ' A' ' 42' ' ' LYS . 1.0 OUTLIER -86.36 141.15 29.41 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 121.573 -0.705 . . . . 0.0 109.692 172.002 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 1.077 ' CG2' HG22 ' A' ' 80' ' ' ILE . 25.8 p -69.11 -58.36 4.18 Favored 'General case' 0 C--O 1.244 0.789 0 O-C-N 121.316 -0.865 . . . . 0.0 111.457 -170.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.01 -35.13 10.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.119 0.961 . . . . 0.0 110.776 -173.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.14 -28.89 68.51 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.733 0.777 . . . . 0.0 110.923 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp 55.49 60.2 3.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.944 0.878 . . . . 0.0 110.756 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 37' ' ' LYS . 5.5 tttt -138.76 121.37 16.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.521 1.153 . . . . 0.0 111.468 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HA ' ' CG ' ' A' ' 36' ' ' GLU . 10.3 mttp -49.33 158.84 0.36 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.781 1.277 . . . . 0.0 111.876 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.772 HG23 ' CG ' ' A' ' 60' ' ' TYR . 47.1 mt -138.51 -50.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 123.15 1.452 . . . . 0.0 110.511 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.703 ' CB ' HD13 ' A' ' 62' ' ' LEU . . . -151.2 131.38 13.55 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 -176.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.609 ' HG3' ' HG2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -162.3 141.97 9.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.236 1.493 . . . . 0.0 113.225 -172.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.851 ' CD1' HG21 ' A' ' 53' ' ' THR . 0.3 OUTLIER -126.06 120.11 29.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.372 172.381 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.711 ' H ' HG22 ' A' ' 53' ' ' THR . 8.4 ttm180 -138.33 96.27 3.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.388 -0.82 . . . . 0.0 111.16 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? 68.38 156.88 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.625 1.202 . . . . 0.0 110.269 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.89 38.34 0.8 Allowed 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.045 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.84 -7.93 9.93 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 172.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 50.5 tt0 176.29 113.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.068 -174.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.851 HG21 ' CD1' ' A' ' 47' ' ' PHE . 30.4 p -148.74 168.96 21.52 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.658 0.742 . . . . 0.0 110.952 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -160.13 132.84 6.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 -173.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -170.15 33.43 0.02 OUTLIER 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.811 -0.556 . . . . 0.0 111.408 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -90.14 83.15 6.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.844 0.83 . . . . 0.0 111.388 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.9 mtmt 179.67 129.66 0.08 Allowed 'General case' 0 C--O 1.251 1.181 0 O-C-N 121.889 -0.507 . . . . 0.0 110.875 173.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.16 -35.01 61.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.542 1.163 . . . . 0.0 111.262 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 70' ' ' ILE . 57.3 m -52.03 -26.19 10.27 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.356 173.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.772 ' CG ' HG23 ' A' ' 44' ' ' ILE . 1.6 m-30 -151.06 93.84 1.98 Allowed 'General case' 0 C--O 1.26 1.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 174.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 68' ' ' LEU . 6.6 ttpt -134.85 150.28 50.45 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.613 -1.304 . . . . 0.0 113.243 -173.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.703 HD13 ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.19 168.48 12.71 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.854 0.862 . . . . 0.0 111.22 -176.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 1.046 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 69.6 m-85 -135.2 176.66 8.46 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.101 -0.999 . . . . 0.0 111.05 172.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.47 83.39 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.778 0.799 . . . . 0.0 111.002 177.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.538 ' O ' HG21 ' A' ' 21' ' ' ILE . 19.0 p30 -86.24 7.68 24.22 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 121.761 -0.587 . . . . 0.0 112.141 -174.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.56 22.27 58.65 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.879 -1.138 . . . . 0.0 112.577 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 63' ' ' PHE . 1.1 m -90.21 146.08 24.53 Favored 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.015 -1.285 . . . . 0.0 110.874 173.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.821 HD22 ' HB3' ' A' ' 35' ' ' TRP . 48.6 tp -112.78 102.46 10.49 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.627 -0.671 . . . . 0.0 111.786 173.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 1.046 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 7.8 tttp -78.98 120.31 23.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.336 -0.852 . . . . 0.0 111.284 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.099 HD11 HD22 ' A' ' 19' ' ' LEU . 7.8 mt -108.05 108.08 24.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.011 0.91 . . . . 0.0 110.268 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -98.3 145.88 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.792 0.806 . . . . 0.0 112.686 -172.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.524 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 8.6 t-160 60.6 109.82 0.02 OUTLIER 'General case' 0 C--O 1.244 0.81 0 CA-C-O 122.492 1.139 . . . . 0.0 111.964 177.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.106 ' HB3' ' CB ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -140.83 -176.52 4.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 123.762 1.744 . . . . 0.0 112.112 -176.418 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.998 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -153.41 -142.92 0.12 Allowed 'General case' 0 C--O 1.245 0.846 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.806 172.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.459 ' N ' ' HB2' ' A' ' 13' ' ' LEU . 17.2 m -79.53 -25.5 41.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 123.548 1.642 . . . . 0.0 110.449 164.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -82.55 -15.91 50.53 Favored 'General case' 0 C--O 1.263 1.792 0 C-N-CA 124.44 1.096 . . . . 0.0 112.92 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 1.106 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 15.4 t70 -69.89 -29.25 66.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 120.319 1.418 . . . . 0.0 110.549 173.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.557 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 6.5 tt0 -50.07 129.85 21.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.685 1.231 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 1.1 t70 -163.16 168.37 20.87 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.164 0.983 . . . . 0.0 110.763 175.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.077 HG22 ' CG2' ' A' ' 38' ' ' THR . 2.4 mp -96.31 146.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.381 1.086 . . . . 0.0 110.372 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.725 ' CD2' HD21 ' A' ' 19' ' ' LEU . 47.6 m-85 -140.66 164.21 30.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.805 0.812 . . . . 0.0 110.693 -171.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.56 134.38 12.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 121.664 0.745 . . . . 0.0 110.58 173.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.893 HG12 ' CE1' ' A' ' 98' ' ' PHE . 5.7 p -107.86 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 122.498 1.142 . . . . 0.0 111.226 -173.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.516 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -120.73 118.03 29.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.766 0.827 . . . . 0.0 110.317 175.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.021 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -129.9 119.44 47.33 Favored 'Isoleucine or valine' 0 C--O 1.247 0.964 0 O-C-N 121.821 -0.55 . . . . 0.0 110.052 -173.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.528 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 1.4 m-85 -113.57 159.67 19.36 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.725 1.25 . . . . 0.0 112.775 -168.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -84.25 -171.64 3.73 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.12 0.962 . . . . 0.0 111.065 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 29' ' ' ASP . 71.1 p -56.2 -36.55 68.53 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.084 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -86.27 20.14 2.48 Favored 'General case' 0 C--O 1.254 1.313 0 O-C-N 121.207 -0.933 . . . . 0.0 112.685 -172.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.6 11.79 60.54 Favored Glycine 0 C--O 1.25 1.117 0 O-C-N 120.883 -1.136 . . . . 0.0 112.192 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -87.26 134.84 33.5 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.935 -1.332 . . . . 0.0 111.305 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.528 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -72.46 87.46 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.179 0.99 . . . . 0.0 110.537 173.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.9 m -75.95 -22.02 15.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.195 0.998 . . . . 0.0 112.387 -173.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.054 HD21 ' HG3' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -154.94 144.38 21.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.439 1.114 . . . . 0.0 110.748 173.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.699 ' H ' HD22 ' A' ' 94' ' ' LEU . 5.3 pt-20 -155.51 147.16 23.07 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.417 -174.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.727 ' HB3' ' HE1' ' A' ' 98' ' ' PHE . 26.6 tttt -165.91 160.19 16.55 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.503 1.144 . . . . 0.0 111.47 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 5' ' ' ASN . 3.0 mt -112.56 140.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.167 0.984 . . . . 0.0 110.814 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.905 ' CD2' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -134.41 154.68 51.25 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.884 -173.073 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.594 ' OD1' HG23 ' A' ' 80' ' ' ILE . 3.4 m-20 -142.34 86.46 1.96 Allowed 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.477 -0.764 . . . . 0.0 111.167 -172.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.712 ' HA ' HG22 ' A' ' 9' ' ' THR . 4.0 tp -70.03 119.43 14.22 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.39 -0.819 . . . . 0.0 110.871 -175.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.557 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 24.4 mttm -116.48 174.45 6.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 123.221 1.486 . . . . 0.0 111.864 -173.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' ' 12' ' ' ALA . 5.9 mm -134.57 143.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.762 170.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 122.794 1.283 . . . . 0.0 111.8 -170.901 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.484 0 CA-C-O 123.056 1.408 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.04 175.72 5.38 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.183 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.773 HD12 ' CE2' ' A' ' 98' ' ' PHE . 11.6 mt -106.16 104.71 14.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.865 0.84 . . . . 0.0 110.938 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.34 110.15 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.636 0.731 . . . . 0.0 111.123 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.901 HG21 HD22 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -115.14 128.98 56.54 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 179.141 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -123.39 149.72 44.62 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 121.646 -0.659 . . . . 0.0 110.881 -173.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.06 -175.78 31.42 Favored Glycine 0 C--O 1.239 0.433 0 CA-C-O 122.796 1.22 . . . . 0.0 112.367 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -115.18 170.65 8.21 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 121.671 -0.899 . . . . 0.0 110.744 173.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.799 ' CD1' HG21 ' A' ' 102' ' ' ILE . 5.1 mp -80.01 132.5 36.01 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.25 1.024 . . . . 0.0 112.378 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 37.34 23.74 Favored Glycine 0 N--CA 1.468 0.776 0 CA-C-O 123.32 1.511 . . . . 0.0 109.381 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.593 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 6.1 tt0 -131.74 132.09 43.56 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.756 1.265 . . . . 0.0 113.106 -170.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.55 134.53 36.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.899 176.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.871 ' CG2' HD21 ' A' ' 100' ' ' LEU . 5.9 tp -139.59 156.58 26.42 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 CA-C-O 121.333 0.587 . . . . 0.0 110.698 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.815 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.5 m120 -116.54 -179.27 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.626 1.679 . . . . 0.0 112.465 -172.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.88 HD13 ' CZ3' ' A' ' 35' ' ' TRP . 30.0 mt -139.39 127.52 22.47 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.742 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -119.51 116.77 26.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.898 1.332 . . . . 0.0 111.958 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.555 ' CG1' ' HD2' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -78.8 151.05 76.34 Favored Pre-proline 0 C--O 1.24 0.554 0 CA-C-O 122.029 0.919 . . . . 0.0 111.546 175.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.555 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 36.6 Cg_exo -46.3 -174.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.351 1 C-N-CA 127.158 5.238 . . . . 0.0 115.487 174.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -89.37 30.8 0.95 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.364 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.764 ' O ' HD22 ' A' ' 94' ' ' LEU . 8.2 m-30 -128.06 83.46 2.16 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 121.445 -0.784 . . . . 0.0 110.217 172.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 170.83 9.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.47 1.128 . . . . 0.0 111.639 -172.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.441 ' HB3' ' CG2' ' A' ' 30' ' ' ILE . 3.3 ptp -57.62 155.03 10.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.049 0.928 . . . . 0.0 111.069 -175.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -173.57 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 123.027 1.394 . . . . 0.0 110.892 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.68 -70.06 0.31 Allowed 'General case' 0 C--O 1.247 0.972 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.652 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -139.22 23.97 2.53 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 121.043 -1.035 . . . . 0.0 112.353 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 26' ' ' MET . 0.5 OUTLIER -79.15 133.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 121.052 -1.03 . . . . 0.0 110.555 173.623 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.95 -26.67 2.87 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -172.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.452 ' O ' HG22 ' A' ' 85' ' ' ILE . 3.6 t70 -105.5 140.01 39.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 120.752 -1.218 . . . . 0.0 111.304 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.96 HG23 ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -132.97 151.59 34.53 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.723 173.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 46' ' ' GLN . 4.8 ttpt -153.12 148.69 27.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 123.517 1.627 . . . . 0.0 112.131 173.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.88 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 48.9 m95 -144.78 109.1 4.84 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.059 174.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.565 ' OE2' ' HG2' ' A' ' 41' ' ' LYS . 3.8 tt0 -104.58 156.12 18.24 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.252 0.549 . . . . 0.0 110.791 -173.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.683 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 9.8 ttpt -88.97 83.92 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.365 0.602 . . . . 0.0 109.396 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.585 HG23 ' CA ' ' A' ' 81' ' ' TYR . 18.7 p -48.01 -23.65 0.86 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -169.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -47.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.264 -0.898 . . . . 0.0 111.74 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.19 24.35 12.98 Favored 'General case' 0 C--O 1.249 1.043 0 O-C-N 121.813 -0.555 . . . . 0.0 111.931 174.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 2.5 ttmt 53.4 60.56 3.64 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.257 -0.902 . . . . 0.0 110.838 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.683 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 10.5 mmmt -128.73 105.58 8.36 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.624 1.202 . . . . 0.0 112.777 -173.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 128.94 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.938 1.351 . . . . 0.0 111.772 -175.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.1 pt -116.26 -29.6 2.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.441 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.061 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -156.59 127.99 7.06 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 121.42 -0.8 . . . . 0.0 110.516 -173.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -169.18 151.4 4.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.736 1.731 . . . . 0.0 113.282 -176.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 3.4 m-85 -121.61 110.57 16.16 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.451 172.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -135.52 108.75 7.76 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.371 -0.831 . . . . 0.0 111.185 -173.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.77 149.55 0.06 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.022 0.915 . . . . 0.0 110.695 -174.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.24 34.76 0.86 Allowed 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.699 173.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -113.09 -9.44 13.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 169.97 116.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.96 -174.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.499 HG21 ' CD2' ' A' ' 47' ' ' PHE . 77.8 p -116.99 172.6 7.15 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.879 0.847 . . . . 0.0 111.211 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.522 ' HD1' ' C ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -122.16 99.52 6.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.649 0.738 . . . . 0.0 110.946 -173.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -159.58 44.93 0.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.782 0.801 . . . . 0.0 111.046 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.53 24.07 2.4 Favored 'General case' 0 C--O 1.253 1.286 0 O-C-N 121.886 -0.509 . . . . 0.0 112.324 -172.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -165.28 132.1 2.87 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 120.916 -1.115 . . . . 0.0 111.221 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -33.11 74.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 70' ' ' ILE . 38.3 m -56.37 -13.93 2.57 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.96 -169.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 70' ' ' ILE . 27.1 m-85 -148.95 84.42 1.46 Allowed 'General case' 0 C--O 1.253 1.254 0 O-C-N 121.202 -0.936 . . . . 0.0 110.592 172.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.49 154.6 29.03 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 120.774 -1.204 . . . . 0.0 112.231 -172.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.061 ' CD1' ' HB1' ' A' ' 45' ' ' ALA . 7.7 mp -93.23 177.65 5.98 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.831 0.824 . . . . 0.0 111.174 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 2.8 m-85 -138.91 174.59 10.36 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.986 0.898 . . . . 0.0 110.975 172.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -64.12 -39.03 93.17 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.419 -0.8 . . . . 0.0 110.983 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -89.3 19.56 4.31 Favored 'General case' 0 C--O 1.252 1.227 0 O-C-N 121.967 -0.458 . . . . 0.0 111.969 -175.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' HA3' HG21 ' A' ' 21' ' ' ILE . . . 77.49 18.44 77.77 Favored Glycine 0 C--O 1.251 1.167 0 O-C-N 120.859 -1.15 . . . . 0.0 112.66 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' LEU . 1.2 m -88.61 161.98 16.61 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.017 -1.284 . . . . 0.0 111.11 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.815 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.3 tt -127.23 148.72 50.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.826 . . . . 0.0 111.093 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.659 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -134.0 136.21 43.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.594 0.712 . . . . 0.0 110.908 -176.636 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 59' ' ' THR . 1.3 mt -126.97 117.64 48.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.522 0.677 . . . . 0.0 110.456 -173.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.5 mtpm? -86.97 132.32 33.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.505 1.145 . . . . 0.0 113.465 -172.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 55.24 92.81 0.03 OUTLIER 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.374 171.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.837 ' HB2' ' HB3' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -141.89 124.96 16.26 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 124.526 2.108 . . . . 0.0 115.751 -173.172 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.621 ' O ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -112.68 -162.09 0.78 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 120.303 -1.498 . . . . 0.0 111.197 172.288 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.438 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.8 m -46.17 -28.93 1.37 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.228 1.013 . . . . 0.0 112.798 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.58 -39.56 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.377 -176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.837 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 20.0 m-20 -80.13 -11.25 59.77 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.885 -0.509 . . . . 0.0 112.298 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -84.58 111.83 19.88 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.77 -1.206 . . . . 0.0 110.946 -172.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -138.37 165.51 26.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.668 1.223 . . . . 0.0 111.761 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.716 HG12 ' OD1' ' A' ' 99' ' ' ASP . 6.9 mt -86.81 139.98 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.696 175.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.585 ' CA ' HG23 ' A' ' 38' ' ' THR . 20.4 m-85 -134.82 162.49 32.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.976 0.894 . . . . 0.0 111.01 -172.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -152.95 130.68 11.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.889 0.852 . . . . 0.0 110.818 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.939 HG22 HD11 ' A' ' 85' ' ' ILE . 10.4 p -100.69 121.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.648 1.213 . . . . 0.0 110.971 -173.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 p -119.86 114.44 22.1 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.177 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.96 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -125.33 117.97 51.26 Favored 'Isoleucine or valine' 0 C--O 1.252 1.199 0 O-C-N 121.932 -0.48 . . . . 0.0 109.847 -172.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.416 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -112.59 170.63 8.05 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 120.638 -1.289 . . . . 0.0 111.953 -167.399 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 4.7 p30 -84.83 -170.5 3.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.88 0.848 . . . . 0.0 110.934 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -26.16 62.52 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 121.771 -0.581 . . . . 0.0 112.319 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.98 2.53 55.03 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.963 -1.086 . . . . 0.0 112.895 -172.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.69 17.64 79.7 Favored Glycine 0 C--O 1.248 1.026 0 O-C-N 120.623 -1.298 . . . . 0.0 112.979 -174.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.3 mmtt -90.5 121.98 32.93 Favored 'General case' 0 C--O 1.245 0.867 0 O-C-N 121.082 -1.246 . . . . 0.0 111.353 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.41 ' CA ' ' HD2' ' A' ' 86' ' ' TYR . 6.2 p-10 -62.25 98.9 0.12 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.241 1.019 . . . . 0.0 110.831 173.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 91' ' ' LYS . 3.0 m -92.94 -17.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.865 0.84 . . . . 0.0 112.627 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -161.67 144.73 12.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.89 1.329 . . . . 0.0 110.98 173.389 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -138.21 160.16 40.17 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.57 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HD2' ' CG ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -171.03 139.62 1.42 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.905 0.86 . . . . 0.0 110.988 176.512 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -93.6 155.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.404 1.097 . . . . 0.0 111.193 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.921 ' HE1' HG12 ' A' ' 83' ' ' VAL . 28.0 m-85 -143.68 171.6 13.96 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.003 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.716 ' OD1' HG12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -163.82 102.84 0.9 Allowed 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.957 -1.089 . . . . 0.0 111.273 -172.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.901 HD22 HG21 ' A' ' 9' ' ' THR . 0.1 OUTLIER -72.36 128.83 36.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.269 1.033 . . . . 0.0 110.835 173.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -125.73 171.38 10.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.88 1.324 . . . . 0.0 111.298 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.799 HG21 ' CD1' ' A' ' 13' ' ' LEU . 4.5 mm -127.96 147.61 32.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.06 171.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.319 -0.752 0 CA-C-O 122.683 1.23 . . . . 0.0 112.075 -171.667 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.2 m120 . . . . . 0 CA--C 1.511 -0.524 0 CA-C-O 122.151 0.977 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.72 173.73 7.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.688 1.232 . . . . 0.0 111.171 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.698 HD12 ' CE2' ' A' ' 98' ' ' PHE . 8.0 mt -115.83 99.28 7.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.03 -173.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -54.92 99.9 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.937 0.875 . . . . 0.0 111.073 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.17 160.55 14.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.693 0.759 . . . . 0.0 110.826 -174.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -145.73 154.92 42.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.928 0.87 . . . . 0.0 111.454 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.4 -174.66 30.48 Favored Glycine 0 C--O 1.239 0.464 0 CA-C-O 122.493 1.052 . . . . 0.0 111.5 173.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.32 155.78 39.71 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.812 -0.817 . . . . 0.0 110.09 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.852 HD22 HG21 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -87.67 149.34 24.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 124.801 2.239 . . . . 0.0 113.61 -171.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.5 42.17 Favored Glycine 0 N--CA 1.464 0.528 0 CA-C-N 113.06 -1.882 . . . . 0.0 108.791 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -162.89 147.34 11.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 125.231 2.443 . . . . 0.0 116.999 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -80.1 144.15 33.35 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.585 -173.638 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.45 HD12 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -159.36 148.18 7.17 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 CA-C-O 121.357 0.599 . . . . 0.0 110.684 173.318 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.48 161.71 13.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.908 1.337 . . . . 0.0 112.2 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.085 HD13 HD23 ' A' ' 68' ' ' LEU . 1.4 mp -104.84 104.39 14.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 123.3 1.524 . . . . 0.0 109.652 172.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.89 109.08 20.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.846 1.308 . . . . 0.0 111.636 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.915 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -70.08 165.56 41.94 Favored Pre-proline 0 C--O 1.24 0.561 0 CA-C-O 122.138 0.97 . . . . 0.0 111.605 177.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.915 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 22.6 Cg_exo -44.79 -174.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.343 1 C-N-CA 127.375 5.384 . . . . 0.0 116.072 174.442 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -87.25 29.59 0.84 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.324 -1.307 . . . . 0.0 112.702 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -84.08 140.95 31.48 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 121.601 -0.687 . . . . 0.0 109.964 171.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -129.94 108.32 10.03 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.118 -0.989 . . . . 0.0 112.117 -172.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.791 ' HE1' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -76.12 170.17 16.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.568 0.699 . . . . 0.0 110.705 172.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -156.49 -111.51 0.03 OUTLIER 'General case' 0 C--O 1.246 0.897 0 O-C-N 121.61 -0.681 . . . . 0.0 110.933 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -84.07 -51.87 6.75 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.466 -0.771 . . . . 0.0 112.521 -172.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 88' ' ' THR . 4.8 m-20 -68.64 -18.18 64.25 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 121.176 -0.953 . . . . 0.0 113.411 -172.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -87.98 128.64 40.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.384 -0.822 . . . . 0.0 110.881 -176.485 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -31.75 3.27 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -101.82 138.56 38.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.656 1.217 . . . . 0.0 110.848 -172.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.905 HG23 ' CG2' ' A' ' 85' ' ' ILE . 3.3 mt -143.66 147.69 19.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.034 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.502 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -155.88 140.63 17.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 123.545 1.64 . . . . 0.0 112.737 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.958 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 m95 -138.79 126.16 21.68 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.36 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -121.48 168.51 11.63 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.566 0.698 . . . . 0.0 110.707 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -95.4 84.21 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.727 HG23 ' C ' ' A' ' 81' ' ' TYR . 42.0 p -33.51 -45.59 0.17 Allowed 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -170.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -55.92 -59.32 5.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.671 0.748 . . . . 0.0 111.201 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.62 4.42 51.95 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.85 57.91 6.02 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.254 -173.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -119.6 99.75 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 123.011 1.386 . . . . 0.0 112.471 -172.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -43.31 127.79 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.7 1.238 . . . . 0.0 112.013 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.745 HD12 ' CD2' ' A' ' 60' ' ' TYR . 32.8 pt -127.64 -32.07 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.077 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.885 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -157.52 135.14 10.59 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 121.116 -0.99 . . . . 0.0 110.477 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.33 146.64 3.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 123.84 1.781 . . . . 0.0 113.444 -178.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.61 120.14 38.42 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.333 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -142.21 84.72 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.406 -0.809 . . . . 0.0 110.999 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.58 150.67 0.09 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.228 1.013 . . . . 0.0 110.199 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.04 37.95 0.79 Allowed 'General case' 0 C--O 1.251 1.159 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.448 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -118.78 -5.03 10.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 178.6 121.25 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.004 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.07 152.81 43.84 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.667 0.746 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' HE1' ' O ' ' A' ' 44' ' ' ILE . 45.6 t80 -105.09 106.62 17.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.072 0.939 . . . . 0.0 111.356 -175.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -164.19 61.04 0.15 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.041 0.924 . . . . 0.0 110.797 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -32.32 73.68 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.8 -172.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.723 ' CG ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -153.64 162.62 41.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.083 0.944 . . . . 0.0 111.362 176.258 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.8 -3.4 38.13 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.515 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.732 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.4 t -57.94 -21.98 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.119 -0.988 . . . . 0.0 110.593 173.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.874 ' HE2' ' HE2' ' A' ' 81' ' ' TYR . 69.0 m-85 -150.45 83.83 1.36 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 121.561 -0.712 . . . . 0.0 111.039 171.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -104.54 144.46 31.66 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.309 -0.869 . . . . 0.0 111.157 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.708 HD12 ' H ' ' A' ' 63' ' ' PHE . 2.9 tp -100.27 144.07 29.72 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 123.077 0.551 . . . . 0.0 110.805 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.708 ' H ' HD12 ' A' ' 62' ' ' LEU . 2.8 m-30 -115.48 168.59 9.86 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.254 -0.903 . . . . 0.0 111.283 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.82 -34.38 78.23 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.773 0.797 . . . . 0.0 111.171 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -88.14 20.88 2.98 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 121.843 -0.535 . . . . 0.0 112.145 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.95 16.13 78.34 Favored Glycine 0 C--O 1.253 1.331 0 O-C-N 120.968 -1.083 . . . . 0.0 112.539 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.36 153.19 20.62 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 120.757 -1.437 . . . . 0.0 111.005 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -132.25 111.42 11.38 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.559 -0.713 . . . . 0.0 111.301 178.082 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -93.26 136.45 33.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.623 1.201 . . . . 0.0 110.877 -174.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.898 HD11 HD11 ' A' ' 19' ' ' LEU . 5.3 mt -120.02 113.76 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.71 0.767 . . . . 0.0 109.686 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.4 OUTLIER -86.52 119.45 26.79 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -169.106 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.525 ' O ' HD23 ' A' ' 73' ' ' LEU . 34.2 t60 49.97 86.79 0.03 OUTLIER 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.382 1.073 . . . . 0.0 112.863 170.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.939 ' HB2' ' HB2' ' A' ' 77' ' ' ASP . 35.5 mt -157.78 167.47 29.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 125.339 2.495 . . . . 0.0 113.8 177.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.615 ' CB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -114.12 -134.86 0.35 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.271 1.828 . . . . 0.0 113.772 -169.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.0 m -61.27 -25.27 66.98 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.805 1.288 . . . . 0.0 110.64 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -69.12 -31.58 70.37 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 122.82 1.295 . . . . 0.0 110.77 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.939 ' HB2' ' HB2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -69.36 -23.47 63.76 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.921 173.075 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.809 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 3.3 tt0 -82.65 89.48 6.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.412 1.101 . . . . 0.0 110.96 -175.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.65 173.32 8.17 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 122.33 1.062 . . . . 0.0 110.887 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.676 HG23 ' OD2' ' A' ' 99' ' ' ASP . 1.2 mp -97.55 133.28 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.884 0.85 . . . . 0.0 110.368 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.874 ' HE2' ' HE2' ' A' ' 60' ' ' TYR . 32.2 m-85 -127.67 165.95 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.682 1.23 . . . . 0.0 111.968 -171.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 10.3 ttmt -148.69 135.12 19.52 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.542 172.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.94 HG22 HD11 ' A' ' 85' ' ' ILE . 3.6 p -109.75 110.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.969 1.366 . . . . 0.0 110.838 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -116.28 123.06 46.75 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.216 179.455 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.94 HD11 HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -140.26 118.23 10.35 Favored 'Isoleucine or valine' 0 C--O 1.256 1.404 0 O-C-N 121.8 -0.562 . . . . 0.0 110.179 -172.061 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.558 ' HD1' ' C ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -126.24 166.32 17.32 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 120.284 -1.51 . . . . 0.0 110.521 -167.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -81.14 -171.38 3.21 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 -174.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 29' ' ' ASP . 6.5 p -54.66 -40.6 69.22 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 121.452 -0.78 . . . . 0.0 111.687 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -91.43 29.06 1.54 Allowed 'General case' 0 C--O 1.248 1.022 0 O-C-N 121.546 -0.721 . . . . 0.0 112.274 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.72 23.01 62.61 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 121.139 -0.976 . . . . 0.0 111.972 173.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -90.63 103.68 16.35 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.367 -1.078 . . . . 0.0 111.514 -177.613 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.25 99.8 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.005 0.907 . . . . 0.0 110.99 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 91' ' ' LYS . 35.4 m -86.5 -28.76 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.608 1.194 . . . . 0.0 111.851 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.74 HD21 HD11 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -155.79 142.99 19.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.849 1.309 . . . . 0.0 111.636 175.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -146.32 134.26 21.37 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.833 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.699 ' CD ' ' HG2' ' A' ' 22' ' ' PRO . 21.6 mttt -148.76 165.78 30.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.499 0.666 . . . . 0.0 110.721 -174.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -120.79 157.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -173.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.698 ' CE2' HD12 ' A' ' 7' ' ' LEU . 7.5 m-85 -146.07 167.53 23.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.848 0.833 . . . . 0.0 111.397 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.676 ' OD2' HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -159.33 95.76 1.26 Allowed 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.349 0.595 . . . . 0.0 111.024 175.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -67.22 151.06 48.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.92 0.867 . . . . 0.0 111.465 176.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.809 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 74.8 mttt -145.6 167.93 21.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.679 1.228 . . . . 0.0 111.94 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.852 HG21 HD22 ' A' ' 13' ' ' LEU . 8.7 mm -123.79 138.28 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 122.564 1.173 . . . . 0.0 109.508 171.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 122.81 1.291 . . . . 0.0 112.384 -171.71 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.837 0.827 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.28 173.28 12.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.886 1.327 . . . . 0.0 111.632 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.002 HD12 ' CE2' ' A' ' 98' ' ' PHE . 28.2 mt -120.11 118.13 29.76 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 122.292 1.044 . . . . 0.0 110.873 -177.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.11 92.46 0.18 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.877 0.846 . . . . 0.0 110.903 173.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.523 ' HB ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -111.8 128.87 56.24 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 121.265 0.555 . . . . 0.0 110.36 -174.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CZ2' ' HD2' ' A' ' 101' ' ' LYS . 85.8 m95 -129.93 164.64 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.442 1.115 . . . . 0.0 112.549 -171.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.51 166.52 35.4 Favored Glycine 0 C--O 1.239 0.461 0 CA-C-O 122.189 0.883 . . . . 0.0 111.717 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.785 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . . . -104.58 161.66 13.93 Favored 'General case' 0 C--O 1.253 1.264 0 O-C-N 121.722 -0.87 . . . . 0.0 110.48 172.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.77 ' CD1' HG21 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -74.31 126.34 30.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.935 1.35 . . . . 0.0 111.849 -172.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 36.34 28.89 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.785 ' NE2' ' HB3' ' A' ' 12' ' ' ALA . 6.3 tt0 -138.02 131.02 30.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 123.046 1.403 . . . . 0.0 112.584 -170.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -84.02 129.04 34.93 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.103 -173.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.528 ' CG2' HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -133.39 158.02 42.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.774 0.797 . . . . 0.0 110.736 -178.24 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.414 ' N ' HG13 ' A' ' 17' ' ' ILE . 80.4 m-20 -115.27 137.37 52.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.083 0.944 . . . . 0.0 112.085 -173.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.063 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 1.9 mm? -81.61 111.46 17.92 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.817 171.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -100.18 111.03 23.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.894 1.33 . . . . 0.0 112.367 -170.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.814 ' CD1' HG13 ' A' ' 85' ' ' ILE . 8.9 tt -70.21 155.57 93.23 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.403 171.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.807 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 28.6 Cg_exo -45.5 -177.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.437 1 C-N-CA 126.875 5.05 . . . . 0.0 115.643 176.39 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.2 p -88.94 30.66 0.91 Allowed 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.257 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -105.87 124.73 50.05 Favored 'General case' 0 C--O 1.247 0.956 0 O-C-N 121.617 -0.677 . . . . 0.0 109.946 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.25 148.19 44.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.603 1.192 . . . . 0.0 111.358 -171.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.629 ' HB3' HG21 ' A' ' 30' ' ' ILE . 5.2 ptm -84.4 171.76 12.34 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 122.017 0.913 . . . . 0.0 111.057 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.9 p -157.7 -118.05 0.02 OUTLIER 'General case' 0 C--O 1.251 1.173 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.182 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.54 -14.58 51.92 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.984 -1.073 . . . . 0.0 112.366 -173.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 88' ' ' THR . 54.5 m-20 -101.04 -24.6 14.28 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.763 -1.211 . . . . 0.0 113.256 -173.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.629 HG21 ' HB3' ' A' ' 26' ' ' MET . 1.3 mt -86.79 145.48 7.58 Favored 'Isoleucine or valine' 0 C--O 1.247 0.965 0 O-C-N 121.76 -0.587 . . . . 0.0 110.755 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.37 -38.68 1.18 Allowed 'General case' 0 C--O 1.258 1.504 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 85' ' ' ILE . 4.6 t70 -105.98 145.99 30.64 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 120.567 -1.333 . . . . 0.0 112.094 -171.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.964 ' HA ' HG23 ' A' ' 85' ' ' ILE . 17.2 mt -143.5 102.03 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.441 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 8.3 mmmt -114.32 149.29 36.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.233 1.492 . . . . 0.0 112.229 -173.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 1.063 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 37.6 m95 -141.72 129.91 22.19 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.288 172.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.82 168.56 11.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.807 0.813 . . . . 0.0 111.656 -173.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -97.08 108.49 21.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.395 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 1.086 ' CG2' HG22 ' A' ' 80' ' ' ILE . 5.0 p -46.9 -49.96 19.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.802 0.81 . . . . 0.0 112.186 -171.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 t -52.58 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.827 . . . . 0.0 111.59 -173.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.92 3.36 14.75 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 41' ' ' LYS . 4.4 mtpt 56.32 67.13 1.04 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.012 1.387 . . . . 0.0 110.24 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.65 104.55 6.41 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.615 -1.175 . . . . 0.0 113.486 -172.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -41.11 150.53 0.08 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.174 0.988 . . . . 0.0 112.295 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 60' ' ' TYR . 4.8 pt -147.88 -48.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.886 0.851 . . . . 0.0 111.036 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.854 ' HB1' ' HG ' ' A' ' 62' ' ' LEU . . . -129.55 125.19 35.69 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -154.72 142.77 20.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.74 1.733 . . . . 0.0 113.158 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' HD1' HD12 ' A' ' 62' ' ' LEU . 2.0 m-85 -125.89 123.5 38.77 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.396 172.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.77 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -141.77 116.29 9.62 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 121.318 -0.864 . . . . 0.0 111.527 -173.076 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.26 159.87 0.18 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.901 . . . . 0.0 109.58 -176.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.547 ' C ' ' HG2' ' A' ' 51' ' ' LYS . 8.6 pt-20 -71.53 7.57 1.38 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.789 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 1.4 mmtp -159.99 122.1 3.31 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.279 1.032 . . . . 0.0 109.684 168.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.789 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER 143.66 76.27 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.963 1.305 . . . . 0.0 109.772 -169.609 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -103.77 139.15 39.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.839 1.304 . . . . 0.0 113.174 -171.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -128.82 85.67 2.35 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.909 171.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 15.73 0.47 Allowed 'General case' 0 C--O 1.261 1.703 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -170.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.2 72.48 7.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 120.535 1.516 . . . . 0.0 111.291 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.676 ' CG ' HG22 ' A' ' 59' ' ' THR . 0.6 OUTLIER 179.68 108.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.719 -0.613 . . . . 0.0 110.892 -174.41 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.14 0.972 . . . . 0.0 112.096 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.73 HG23 ' HD1' ' A' ' 60' ' ' TYR . 14.6 t -60.51 -15.25 25.34 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.626 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.872 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 68.2 m-85 -150.57 90.86 1.68 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.225 -0.922 . . . . 0.0 111.221 171.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -101.1 161.18 13.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.665 1.221 . . . . 0.0 111.629 -174.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.854 ' HG ' ' HB1' ' A' ' 45' ' ' ALA . 12.3 mt -107.57 151.68 25.28 Favored 'General case' 0 C--O 1.252 1.209 0 C-N-CA 123.779 0.832 . . . . 0.0 110.6 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.757 ' CD2' HG22 ' A' ' 67' ' ' THR . 22.6 m-30 -130.84 170.81 13.91 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.914 -1.116 . . . . 0.0 111.451 174.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -54.52 24.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.034 0.921 . . . . 0.0 111.18 -175.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -53.27 -21.57 5.67 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.928 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.19 24.76 10.04 Favored Glycine 0 C--O 1.245 0.806 0 O-C-N 121.099 -1.0 . . . . 0.0 111.851 -173.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.757 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.3 148.52 22.82 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.39 -1.064 . . . . 0.0 110.956 173.488 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.97 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 6.7 tp -105.84 154.86 19.94 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.301 0.572 . . . . 0.0 110.609 173.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -133.85 124.51 26.62 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.522 -0.736 . . . . 0.0 110.968 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.649 HD11 HD23 ' A' ' 19' ' ' LEU . 4.4 mt -117.97 110.56 31.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.154 0.978 . . . . 0.0 110.483 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.9 tttm -81.04 141.18 34.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 123.058 1.408 . . . . 0.0 113.426 -172.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 49.57 79.17 0.08 Allowed 'General case' 0 C--O 1.25 1.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.444 172.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -122.2 119.07 30.17 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -107.21 -162.79 0.86 Allowed 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.882 1.273 . . . . 0.0 110.518 169.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.458 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.6 m -49.76 -27.21 4.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.204 1.002 . . . . 0.0 112.477 176.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -38.38 49.97 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.389 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.847 ' HB3' HD12 ' A' ' 73' ' ' LEU . 1.5 m-20 -77.61 -12.47 59.97 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.378 -0.826 . . . . 0.0 112.01 174.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.475 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -74.52 102.97 4.68 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.772 -1.205 . . . . 0.0 110.91 -176.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.2 176.06 8.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.335 1.064 . . . . 0.0 111.098 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.086 HG22 ' CG2' ' A' ' 38' ' ' THR . 31.9 mt -101.26 142.59 15.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.54 0.686 . . . . 0.0 110.137 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.95 ' HE2' ' HB2' ' A' ' 100' ' ' LEU . 33.5 m-85 -137.26 170.96 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.954 0.883 . . . . 0.0 111.426 -171.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.814 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 24.7 ttpt -156.37 155.36 32.05 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 173.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.09 HG12 ' HE1' ' A' ' 98' ' ' PHE . 12.0 p -129.31 128.85 66.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.587 1.184 . . . . 0.0 111.227 -174.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.587 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 35.0 p -133.56 103.66 6.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.899 0.857 . . . . 0.0 110.296 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.964 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -112.69 113.97 45.66 Favored 'Isoleucine or valine' 0 C--O 1.25 1.129 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.207 -172.521 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.784 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -109.62 167.48 10.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.103 1.43 . . . . 0.0 112.505 -169.325 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.618 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 14.9 p-10 -86.02 -165.23 1.19 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.463 1.125 . . . . 0.0 110.933 177.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 29' ' ' ASP . 60.0 p -62.59 -33.11 74.32 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.502 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -90.83 23.01 3.3 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 121.474 -0.766 . . . . 0.0 112.22 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.65 54.24 Favored Glycine 0 C--O 1.249 1.065 0 O-C-N 121.056 -1.027 . . . . 0.0 111.76 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.618 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 3.4 mtpp -86.06 113.59 22.25 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.161 -1.199 . . . . 0.0 110.987 -177.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.784 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -61.1 91.62 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.712 1.244 . . . . 0.0 110.771 175.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 30' ' ' ILE . 17.3 m -69.6 -33.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 122.849 1.309 . . . . 0.0 110.835 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.418 HD21 ' HG2' ' A' ' 22' ' ' PRO . 12.3 tp -149.44 145.6 27.01 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 123.13 1.443 . . . . 0.0 111.446 173.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -138.01 155.73 48.54 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.542 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.814 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 tptt -167.47 154.27 8.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.414 1.102 . . . . 0.0 111.391 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 5' ' ' ASN . 1.5 mt -112.91 141.3 28.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.803 -174.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 1.09 ' HE1' HG12 ' A' ' 83' ' ' VAL . 11.2 m-85 -128.66 163.02 25.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.025 0.917 . . . . 0.0 111.414 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.14 108.02 3.36 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.741 0.781 . . . . 0.0 110.88 173.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.95 ' HB2' ' HE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -72.53 149.09 44.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.871 0.843 . . . . 0.0 110.857 178.602 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HD2' ' CZ2' ' A' ' 10' ' ' TRP . 2.5 mttp -139.85 163.54 32.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.762 1.268 . . . . 0.0 112.053 -173.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.77 HG21 ' CD1' ' A' ' 13' ' ' LEU . 27.6 mm -124.22 145.72 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.307 169.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.783 0 CA-C-O 122.203 1.002 . . . . 0.0 111.347 -171.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt . . . . . 0 C--O 1.239 0.536 0 CA-C-O 121.95 0.881 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -100.6 103.67 14.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.881 0.848 . . . . 0.0 110.99 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.79 178.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 123.043 1.401 . . . . 0.0 111.604 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -82.46 176.11 9.68 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 122.784 1.278 . . . . 0.0 111.239 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -133.66 42.81 2.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.844 1.307 . . . . 0.0 110.34 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.58 174.37 7.31 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 123.067 1.413 . . . . 0.0 112.164 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.906 HD12 ' CE2' ' A' ' 98' ' ' PHE . 13.2 mt -107.06 111.9 24.57 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.42 1.105 . . . . 0.0 110.983 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.78 91.61 0.01 OUTLIER 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.925 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.834 HG22 ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -99.01 137.36 37.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.769 0.795 . . . . 0.0 110.55 -173.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -127.64 161.77 28.08 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 122.063 0.935 . . . . 0.0 111.544 -172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.17 -159.57 9.48 Favored Glycine 0 C--O 1.239 0.441 0 CA-C-O 122.482 1.046 . . . . 0.0 111.548 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -157.58 150.66 23.37 Favored 'General case' 0 C--O 1.253 1.248 0 O-C-N 121.844 -0.798 . . . . 0.0 110.316 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.957 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.4 mp -65.3 133.76 52.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.764 1.268 . . . . 0.0 111.158 -172.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.89 43.67 10.95 Favored Glycine 0 C--O 1.251 1.197 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.094 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.65 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -132.57 -179.18 5.3 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 123.437 1.589 . . . . 0.0 110.955 -173.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.851 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -136.54 128.64 29.64 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.335 1.064 . . . . 0.0 110.106 172.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 100' ' ' LEU . 7.7 tp -126.62 168.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.986 0.898 . . . . 0.0 112.105 -170.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.457 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -128.55 -177.69 4.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.159 1.457 . . . . 0.0 111.613 -175.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.83 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.9 OUTLIER -140.32 89.67 2.3 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.324 -176.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.91 105.77 17.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 110.454 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.026 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -98.75 -48.12 0.22 Allowed Pre-proline 0 C--O 1.245 0.858 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -171.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 1.026 ' HD3' HG23 ' A' ' 21' ' ' ILE . 86.2 Cg_exo -52.7 113.42 1.23 Allowed 'Trans proline' 0 N--CA 1.529 3.58 1 C-N-CA 126.123 4.549 . . . . 0.0 117.48 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -94.67 16.25 16.13 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.43 1.092 . . . . 0.0 110.945 170.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -167.08 178.29 5.78 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.032 0.92 . . . . 0.0 111.445 -168.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.47 76.69 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.797 1.284 . . . . 0.0 111.868 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.402 ' HG3' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -76.93 161.32 28.48 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.407 172.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 p -167.01 -50.69 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.856 1.312 . . . . 0.0 113.303 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -75.6 -27.27 58.45 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 114.836 -1.075 . . . . 0.0 113.205 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.9 7.55 9.32 Favored 'General case' 0 C--O 1.258 1.536 0 O-C-N 121.036 -1.04 . . . . 0.0 113.18 -171.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.628 HD13 ' N ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -88.67 158.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 120.613 -1.304 . . . . 0.0 111.336 -174.196 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.628 ' N ' HD13 ' A' ' 30' ' ' ILE . 15.5 t70 -133.26 -63.38 0.76 Allowed 'General case' 0 C--O 1.254 1.338 0 O-C-N 121.546 -0.721 . . . . 0.0 112.917 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.782 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -105.02 142.22 35.19 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.466 1.603 . . . . 0.0 113.279 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.9 ' HA ' HG23 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -126.2 124.54 66.03 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.273 172.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.748 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 26.4 tttp -130.58 147.11 52.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.195 1.474 . . . . 0.0 112.558 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.83 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 57.1 m95 -142.95 127.19 17.59 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.348 172.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.77 162.49 17.22 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-O 121.166 0.508 . . . . 0.0 110.811 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 2.6 ttmt -96.34 89.02 4.93 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.554 -0.716 . . . . 0.0 109.759 173.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 80' ' ' ILE . 44.1 p -49.77 -28.19 5.91 Favored 'General case' 0 C--O 1.251 1.168 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -169.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 t -55.83 -47.05 77.9 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.112 -0.992 . . . . 0.0 111.286 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -134.67 30.84 3.42 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.563 -0.711 . . . . 0.0 112.049 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 7.0 pttp 48.17 57.64 5.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.611 1.196 . . . . 0.0 110.481 175.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.73 108.39 14.36 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 122.633 1.206 . . . . 0.0 112.114 -172.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.07 130.4 6.03 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 122.102 0.953 . . . . 0.0 112.005 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.789 HD12 ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -120.93 -36.03 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.266 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -153.0 153.48 33.01 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.574 -0.704 . . . . 0.0 110.639 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.748 ' HG3' ' HG3' ' A' ' 34' ' ' LYS . 1.3 tt0 -164.33 158.61 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 123.872 1.796 . . . . 0.0 113.454 173.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HD2' HD13 ' A' ' 62' ' ' LEU . 3.0 m-85 -133.39 129.53 37.5 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.423 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.62 56.77 1.7 Allowed 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.429 -0.794 . . . . 0.0 110.91 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.03 173.7 0.29 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.082 1.42 . . . . 0.0 109.198 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.69 36.87 0.45 Allowed 'General case' 0 C--O 1.25 1.11 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -120.77 -8.53 9.44 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -177.92 85.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.149 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 t -126.71 149.79 49.39 Favored 'General case' 0 C--O 1.265 1.89 0 C-N-CA 123.455 0.702 . . . . 0.0 109.604 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.621 ' HE1' ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -152.4 156.83 40.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 124.546 2.117 . . . . 0.0 114.625 -171.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -161.22 100.6 1.22 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.326 173.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -47.07 -48.08 22.63 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -171.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.777 ' HB2' HG22 ' A' ' 59' ' ' THR . 7.7 mtpt -151.6 176.75 11.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.171 0.986 . . . . 0.0 110.782 -173.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -29.64 70.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.806 0.812 . . . . 0.0 112.193 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.777 HG22 ' HB2' ' A' ' 57' ' ' LYS . 9.0 t -50.79 -21.73 1.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.073 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.789 ' CE2' HD12 ' A' ' 44' ' ' ILE . 35.8 m-85 -147.98 99.31 3.06 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 111.41 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.836 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.1 mtmm -98.86 151.2 21.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.897 0.856 . . . . 0.0 111.734 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.593 HD21 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.51 120.31 38.34 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 123.783 0.833 . . . . 0.0 109.518 172.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 1.096 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 99.1 m-85 -105.49 179.15 4.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 123.385 1.564 . . . . 0.0 113.06 -171.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -72.84 -54.31 9.12 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.168 -175.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 22' ' ' PRO . 24.6 p30 -61.99 -9.01 6.04 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.584 -0.698 . . . . 0.0 111.22 173.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.55 8.69 54.36 Favored Glycine 0 C--O 1.25 1.15 0 O-C-N 120.924 -1.11 . . . . 0.0 112.653 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.555 ' O ' ' HD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.05 153.82 34.03 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 119.326 1.563 . . . . 0.0 110.719 177.408 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 61' ' ' LYS . 9.1 tp -114.57 118.49 33.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.264 1.031 . . . . 0.0 111.232 174.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 1.096 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -90.08 162.93 15.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.969 0.89 . . . . 0.0 111.134 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 59' ' ' THR . 2.4 mt -149.3 123.72 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.248 0.998 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.742 173.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 149.63 21.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.57 -0.706 . . . . 0.0 111.389 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.793 ' C ' HD22 ' A' ' 73' ' ' LEU . 22.2 t60 61.79 110.57 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.425 1.583 . . . . 0.0 110.989 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.066 HD12 HD21 ' A' ' 100' ' ' LEU . 3.0 mm? -135.48 70.16 1.43 Allowed 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -170.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.471 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.6 -171.03 2.38 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.876 0.846 . . . . 0.0 110.454 171.101 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 m -52.76 -28.28 21.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.411 1.101 . . . . 0.0 112.28 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -42.33 47.71 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.219 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.0 10.4 14.27 Favored 'General case' 0 C--O 1.254 1.308 0 O-C-N 121.619 -0.675 . . . . 0.0 112.094 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.7 116.57 28.91 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.794 -1.191 . . . . 0.0 111.072 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -143.04 -172.13 3.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.285 1.04 . . . . 0.0 111.529 -173.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.512 HG22 ' OG1' ' A' ' 38' ' ' THR . 1.9 mp -110.51 143.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.606 1.193 . . . . 0.0 110.115 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.692 ' HE2' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -138.29 167.82 21.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.776 0.798 . . . . 0.0 110.724 -171.027 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.818 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 37.6 tttt -157.45 151.59 24.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.63 0.729 . . . . 0.0 110.605 173.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.051 HG12 ' CE1' ' A' ' 98' ' ' PHE . 11.4 p -124.69 129.35 73.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 122.482 1.134 . . . . 0.0 111.108 -178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.71 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 58.7 p -127.62 106.35 9.1 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.931 173.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.9 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -116.99 106.64 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 122.207 1.003 . . . . 0.0 110.03 -171.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.71 ' HE1' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -98.8 158.57 15.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.468 1.127 . . . . 0.0 112.62 -167.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.881 ' HB3' HG11 ' A' ' 93' ' ' VAL . 38.6 p-10 -87.97 -164.8 1.16 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 122.144 0.973 . . . . 0.0 110.895 174.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.5 p -73.93 -32.61 63.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.878 0.847 . . . . 0.0 111.056 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.09 -11.46 39.97 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.666 -0.646 . . . . 0.0 112.036 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.54 14.77 79.46 Favored Glycine 0 C--O 1.25 1.147 0 O-C-N 120.794 -1.191 . . . . 0.0 112.354 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -84.8 155.58 21.74 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.893 -1.357 . . . . 0.0 111.487 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -83.89 76.22 10.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.84 0.828 . . . . 0.0 110.345 172.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.881 HG11 ' HB3' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -60.08 -19.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.886 0.851 . . . . 0.0 112.373 -173.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 21' ' ' ILE . 9.1 tp -163.73 141.28 7.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.636 1.208 . . . . 0.0 110.72 172.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.82 145.55 31.68 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.515 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.818 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -161.81 155.93 22.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.183 0.992 . . . . 0.0 111.264 -174.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.3 mt -119.35 136.34 56.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.177 0.989 . . . . 0.0 110.717 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 1.051 ' CE1' HG12 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -126.59 167.05 16.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.835 0.826 . . . . 0.0 111.308 -173.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.39 103.1 1.77 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.049 0.928 . . . . 0.0 110.832 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.066 HD21 HD12 ' A' ' 73' ' ' LEU . 15.9 tp -73.51 135.78 44.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.183 0.992 . . . . 0.0 111.219 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -126.43 169.04 13.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.13 0.967 . . . . 0.0 111.434 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.957 HG21 ' CD1' ' A' ' 13' ' ' LEU . 6.4 mm -122.83 143.84 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.174 0.988 . . . . 0.0 110.142 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.853 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -118.44 169.34 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.571 1.177 . . . . 0.0 111.872 -171.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.853 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -142.77 79.52 1.66 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 123.629 1.68 . . . . 0.0 110.58 -173.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.269 2.102 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 mttp . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.926 0.87 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -86.16 135.12 33.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.92 0.867 . . . . 0.0 111.053 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.15 108.19 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.967 0.889 . . . . 0.0 111.013 174.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.0 p -99.06 173.49 6.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.253 1.025 . . . . 0.0 111.041 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.96 46.75 1.85 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.427 1.108 . . . . 0.0 110.835 177.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.5 169.59 11.72 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.029 0.918 . . . . 0.0 111.365 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.903 HD23 ' CD2' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -115.44 108.77 16.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.332 1.063 . . . . 0.0 110.714 -177.148 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 101.51 4.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.031 0.92 . . . . 0.0 110.953 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.824 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -105.51 125.7 51.29 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.944 -175.599 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -122.37 147.74 45.92 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.348 -0.845 . . . . 0.0 111.753 -172.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.7 170.2 36.57 Favored Glycine 0 C--O 1.239 0.466 0 O-C-N 121.202 -0.936 . . . . 0.0 111.941 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.66 156.02 17.91 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 121.679 -0.895 . . . . 0.0 110.087 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.793 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.98 163.31 28.06 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 123.06 1.41 . . . . 0.0 110.31 -171.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 37.31 28.77 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.115 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 6.6 tt0 -124.14 -174.39 2.99 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 124.208 1.956 . . . . 0.0 112.601 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' H ' ' HG2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -146.18 118.23 8.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.111 170.321 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.573 HG21 HD21 ' A' ' 100' ' ' LEU . 7.3 tp -123.48 165.65 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.781 1.277 . . . . 0.0 112.718 -169.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -122.05 124.37 43.79 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 122.174 0.988 . . . . 0.0 111.714 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.094 HD11 ' CD2' ' A' ' 81' ' ' TYR . 2.9 mt -80.31 102.58 9.62 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.678 0.751 . . . . 0.0 110.339 171.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.39 -155.58 0.39 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.646 0.736 . . . . 0.0 110.969 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.074 HD12 ' HD2' ' A' ' 22' ' ' PRO . 7.0 tp -165.57 154.63 10.81 Favored Pre-proline 0 C--O 1.245 0.83 0 CA-C-O 121.411 0.624 . . . . 0.0 110.954 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 1.074 ' HD2' HD12 ' A' ' 21' ' ' ILE . 8.4 Cg_endo -45.82 179.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.487 1 C-N-CA 127.002 5.135 . . . . 0.0 114.417 173.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 p -88.57 30.85 0.87 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.431 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.38 150.88 22.15 Favored 'General case' 0 C--O 1.246 0.906 0 O-C-N 121.572 -0.705 . . . . 0.0 110.455 172.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -147.96 146.85 29.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.123 0.963 . . . . 0.0 111.342 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.9 ptm -53.12 161.01 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.946 0.879 . . . . 0.0 110.938 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.2 t -169.96 -92.48 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.398 1.094 . . . . 0.0 111.157 -173.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -76.36 0.08 Allowed 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.912 -172.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.606 ' O ' HG23 ' A' ' 88' ' ' THR . 67.4 m-20 -138.0 21.89 2.83 Favored 'General case' 0 C--O 1.253 1.272 0 O-C-N 121.053 -1.029 . . . . 0.0 112.764 -172.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -69.28 127.53 31.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 121.052 -1.03 . . . . 0.0 110.459 173.32 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.685 ' CG ' HG22 ' A' ' 88' ' ' THR . 0.1 OUTLIER -134.03 -28.22 1.37 Allowed 'General case' 0 C--O 1.26 1.643 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.45 149.43 32.6 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 120.549 -1.344 . . . . 0.0 112.002 -171.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.047 HG23 HG23 ' A' ' 85' ' ' ILE . 1.4 mt -133.2 156.97 42.59 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 172.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -150.49 136.01 18.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 123.274 1.512 . . . . 0.0 111.96 173.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.772 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.8 m95 -134.74 130.7 36.62 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.657 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 173.7 11.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.824 0.821 . . . . 0.0 111.105 -176.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -90.76 106.81 18.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 1.133 HG21 HG22 ' A' ' 80' ' ' ILE . 2.2 p -39.04 -53.98 1.74 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -169.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -69.44 -52.22 28.82 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.521 -0.737 . . . . 0.0 112.86 -171.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.791 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 1.3 t0 -99.63 15.8 25.52 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 121.234 -0.916 . . . . 0.0 113.378 -171.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.791 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 8.2 pttt 49.57 58.52 5.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 123.073 1.416 . . . . 0.0 110.196 173.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.67 89.33 3.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.963 1.363 . . . . 0.0 111.86 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -50.02 113.45 0.86 Allowed 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.942 0.877 . . . . 0.0 110.957 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -118.49 -9.39 11.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.867 175.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.928 ' HB1' HD23 ' A' ' 62' ' ' LEU . . . -157.14 131.78 8.68 Favored 'General case' 0 C--O 1.254 1.292 0 O-C-N 120.847 -1.158 . . . . 0.0 110.472 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -159.86 146.45 16.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 123.324 1.535 . . . . 0.0 112.962 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.668 ' CE1' HG22 ' A' ' 53' ' ' THR . 1.6 m-85 -122.09 140.57 52.36 Favored 'General case' 0 C--O 1.244 0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.59 172.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -161.92 113.63 1.7 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.454 -0.778 . . . . 0.0 111.248 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm 66.8 154.44 0.09 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.738 1.256 . . . . 0.0 110.452 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.54 33.4 0.7 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.073 174.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -7.31 15.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 53' ' ' THR . 0.0 OUTLIER 175.13 160.47 0.22 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.29 -178.343 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.668 HG22 ' CE1' ' A' ' 47' ' ' PHE . 60.9 p -127.56 154.63 44.95 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.721 0.772 . . . . 0.0 111.144 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -112.48 104.72 12.84 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.788 0.804 . . . . 0.0 111.28 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.63 118.16 2.45 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.939 0.876 . . . . 0.0 111.008 174.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -69.45 -53.38 19.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.923 0.868 . . . . 0.0 110.785 177.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.614 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -148.65 169.63 19.94 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.446 0.641 . . . . 0.0 110.643 -175.13 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.05 -18.59 63.3 Favored 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.503 -0.748 . . . . 0.0 112.679 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.727 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.3 t -51.71 -23.86 5.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.846 0.831 . . . . 0.0 110.766 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.536 ' CD1' HG12 ' A' ' 70' ' ' ILE . 31.2 m-85 -148.41 83.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.707 0.765 . . . . 0.0 110.812 172.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.603 ' HE2' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -113.86 152.1 31.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.283 1.516 . . . . 0.0 112.028 -172.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.928 HD23 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -98.9 150.42 21.93 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.812 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.603 ' HE1' ' HE2' ' A' ' 61' ' ' LYS . 17.7 m-30 -120.08 158.15 27.46 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 110.5 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -26.59 68.31 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 121.824 -0.547 . . . . 0.0 111.518 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -93.6 25.82 3.33 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.26 -0.9 . . . . 0.0 111.951 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.79 4.2 65.75 Favored Glycine 0 C--O 1.254 1.37 0 O-C-N 121.168 -0.957 . . . . 0.0 112.851 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -90.85 134.57 34.35 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.252 1.526 . . . . 0.0 111.699 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.889 HD23 ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -100.98 150.38 22.95 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.554 171.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.889 ' N ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -131.24 142.7 50.2 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.063 -1.023 . . . . 0.0 110.968 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 59' ' ' THR . 2.8 mt -125.85 117.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.801 0.81 . . . . 0.0 110.658 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -87.7 149.84 23.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.827 -0.546 . . . . 0.0 110.662 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 62.07 117.62 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.802 1.286 . . . . 0.0 110.491 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.687 HD23 HD11 ' A' ' 100' ' ' LEU . 3.3 tm? -143.43 81.34 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.179 -0.951 . . . . 0.0 112.16 -168.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.42 -170.56 1.75 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.755 1.264 . . . . 0.0 110.261 170.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.412 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.8 m -47.87 -28.58 2.7 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.731 171.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.17 -47.63 14.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.789 0.804 . . . . 0.0 111.265 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.84 2.66 22.31 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.8 -0.562 . . . . 0.0 112.115 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.692 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -82.78 113.48 20.45 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.749 -1.219 . . . . 0.0 111.405 175.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -139.28 167.51 21.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.893 0.854 . . . . 0.0 111.195 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.133 HG22 HG21 ' A' ' 38' ' ' THR . 8.1 mt -86.04 148.65 4.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.533 0.682 . . . . 0.0 110.668 173.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 1.094 ' CD2' HD11 ' A' ' 19' ' ' LEU . 46.9 m-85 -141.87 155.95 45.52 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 112.066 -172.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -144.46 128.54 17.59 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.714 177.386 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.011 HG22 ' CD1' ' A' ' 85' ' ' ILE . 4.2 p -108.91 116.34 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.887 1.327 . . . . 0.0 111.717 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -116.03 123.15 47.26 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 123.814 0.846 . . . . 0.0 109.911 172.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.047 HG23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -130.72 117.85 40.08 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -173.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -114.47 -178.97 3.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 123.3 1.524 . . . . 0.0 113.541 -166.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.71 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 1.5 p30 -98.95 -176.99 3.49 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 122.473 1.13 . . . . 0.0 111.091 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.685 HG22 ' CG ' ' A' ' 31' ' ' ASP . 26.3 p -64.34 -32.58 74.24 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.416 -173.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -95.15 39.5 1.11 Allowed 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.062 -1.024 . . . . 0.0 112.713 -171.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.24 32.17 57.03 Favored Glycine 0 C--O 1.24 0.491 0 O-C-N 121.278 -0.889 . . . . 0.0 111.544 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.71 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 4.0 mmtt -87.47 -170.21 2.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.448 1.594 . . . . 0.0 111.454 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 108.74 5.28 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.458 170.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.4 m -98.54 -35.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.452 1.12 . . . . 0.0 112.333 -172.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.984 HD23 HD13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -146.08 147.74 31.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.177 -174.029 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.8 pt-20 -157.67 145.0 18.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.788 0.804 . . . . 0.0 110.886 -174.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.602 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -154.69 167.03 31.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.09 0.948 . . . . 0.0 111.289 -173.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.69 ' C ' ' HD1' ' A' ' 98' ' ' PHE . 3.2 mt -124.99 141.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 122.397 1.094 . . . . 0.0 111.061 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.903 ' CD2' HD23 ' A' ' 7' ' ' LEU . 2.8 m-85 -137.61 176.85 8.34 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.514 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.499 ' OD1' HG12 ' A' ' 80' ' ' ILE . 3.3 t0 -167.32 111.28 0.7 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.144 -0.973 . . . . 0.0 111.407 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.896 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -85.5 120.43 26.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.286 1.041 . . . . 0.0 110.994 176.6 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.692 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 51.0 mttt -121.62 166.58 14.02 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 123.501 1.619 . . . . 0.0 112.574 -173.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.639 HD11 HD13 ' A' ' 73' ' ' LEU . 1.2 mm -134.81 147.39 29.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.463 169.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -111.74 147.52 35.46 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.547 1.165 . . . . 0.0 111.852 -171.064 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -163.03 86.46 0.54 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.562 1.172 . . . . 0.0 110.759 -176.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.194 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.964 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.422 ' O7 ' ' C3 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . 0.404 ' H2 ' ' H2 ' ' A' ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . 0.404 ' H2 ' ' H2 ' ' A' ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.931 0.872 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -171.76 80.79 0.07 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.955 0.883 . . . . 0.0 111.179 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mm -78.83 139.47 18.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.811 0.815 . . . . 0.0 110.819 173.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.6 p -162.47 178.48 8.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 123.081 1.419 . . . . 0.0 111.509 -173.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.41 38.04 4.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 123.576 1.655 . . . . 0.0 109.547 172.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.63 174.35 6.12 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.387 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.737 HD23 ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -134.54 110.28 9.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.726 -174.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.22 91.93 0.03 OUTLIER 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.782 0.801 . . . . 0.0 110.887 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.58 118.91 37.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.703 0.763 . . . . 0.0 110.322 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -110.69 158.8 18.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.171 0.986 . . . . 0.0 112.27 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.35 146.07 12.06 Favored Glycine 0 C--O 1.243 0.713 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.652 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . . . -92.76 156.11 17.23 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.654 -0.91 . . . . 0.0 110.602 173.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.725 HD12 ' CG2' ' A' ' 102' ' ' ILE . 2.2 mp -64.95 135.4 55.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.727 1.251 . . . . 0.0 111.365 -173.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.67 37.6 30.0 Favored Glycine 0 C--O 1.26 1.769 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.235 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.701 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -133.19 131.0 39.87 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 119.537 1.669 . . . . 0.0 111.912 -171.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.63 140.12 35.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.867 0.841 . . . . 0.0 110.359 173.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pt -142.36 -179.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 123.449 1.595 . . . . 0.0 112.877 -170.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -123.56 150.83 43.57 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.037 1.399 . . . . 0.0 112.268 176.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.088 HD13 ' CZ3' ' A' ' 35' ' ' TRP . 13.1 mt -103.45 119.56 39.12 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.442 172.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.55 117.44 34.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.487 1.613 . . . . 0.0 111.042 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.613 HG21 ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -81.13 164.42 50.42 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.601 -177.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.862 ' CG ' HD21 ' A' ' 94' ' ' LEU . 11.1 Cg_endo -48.51 -177.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.382 1 C-N-CA 127.522 5.482 . . . . 0.0 115.022 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -88.97 31.07 0.88 Allowed 'General case' 0 C--O 1.244 0.802 0 CA-C-N 114.484 -1.235 . . . . 0.0 112.145 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -102.23 149.99 23.75 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.52 -0.738 . . . . 0.0 110.594 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.64 124.06 27.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.83 . . . . 0.0 111.113 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.44 ' HB2' ' CG2' ' A' ' 30' ' ' ILE . 12.3 ptm -79.6 167.99 19.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.86 0.838 . . . . 0.0 111.039 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 t -172.2 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.493 1.139 . . . . 0.0 111.18 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -87.92 -27.41 22.16 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.704 -172.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -108.69 -29.4 8.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.552 -1.342 . . . . 0.0 113.843 -171.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.44 ' CG2' ' HB2' ' A' ' 26' ' ' MET . 0.6 OUTLIER -85.88 144.12 10.16 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 122.0 -0.438 . . . . 0.0 110.63 -176.003 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.87 -37.01 0.82 Allowed 'General case' 0 C--O 1.258 1.549 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -172.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.806 ' O ' HD13 ' A' ' 33' ' ' ILE . 92.6 m-20 -113.71 157.17 22.55 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.284 1.516 . . . . 0.0 111.677 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.97 HG23 HG23 ' A' ' 85' ' ' ILE . 1.1 mm -147.2 123.81 3.04 Favored 'Isoleucine or valine' 0 C--O 1.259 1.553 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.112 -174.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.4 138.94 50.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.93 1.824 . . . . 0.0 111.87 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 1.088 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 51.0 m95 -130.35 145.52 51.8 Favored 'General case' 0 C--O 1.25 1.121 0 C-N-CA 124.672 1.189 . . . . 0.0 109.928 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.55 163.35 33.15 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 121.332 -0.855 . . . . 0.0 110.736 -174.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.911 ' HG2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -100.79 97.26 7.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.585 1.183 . . . . 0.0 109.325 176.245 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.626 ' CG2' HG22 ' A' ' 80' ' ' ILE . 1.2 p -47.43 -30.62 3.48 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.82 -171.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -51.16 -41.4 60.13 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 121.775 -0.578 . . . . 0.0 112.406 -171.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -152.99 37.66 0.5 Allowed 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.18 -0.95 . . . . 0.0 112.324 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.631 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 58.34 71.86 0.56 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.995 1.379 . . . . 0.0 111.184 172.252 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.911 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 10.4 tmtt? -129.88 85.06 2.26 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 122.258 1.028 . . . . 0.0 112.498 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.902 ' HB2' ' NE2' ' A' ' 46' ' ' GLN . 5.1 pttt -45.68 101.54 0.03 OUTLIER 'General case' 0 C--O 1.239 0.514 0 CA-C-O 122.617 1.198 . . . . 0.0 110.719 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.503 HG21 ' CD2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -91.33 -48.68 13.8 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.848 -172.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.967 ' HB1' HD13 ' A' ' 62' ' ' LEU . . . -125.33 142.13 51.67 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 121.506 -0.746 . . . . 0.0 110.566 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.902 ' NE2' ' HB2' ' A' ' 43' ' ' LYS . 11.0 mt-30 -156.15 156.14 33.71 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.828 1.299 . . . . 0.0 112.565 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CE1' HG21 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.92 112.93 12.85 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 123.59 0.756 . . . . 0.0 110.721 174.669 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -139.16 101.77 4.35 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.751 -0.593 . . . . 0.0 111.352 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.29 148.74 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.152 0.977 . . . . 0.0 110.685 175.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -89.32 40.83 1.0 Allowed 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.861 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.03 -10.9 9.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 173.352 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.569 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 43.4 tt0 169.11 97.72 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.911 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.46 HG21 ' CE1' ' A' ' 47' ' ' PHE . 8.6 p -78.74 175.11 10.76 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.608 0.718 . . . . 0.0 111.136 174.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -118.48 94.41 4.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.052 0.929 . . . . 0.0 110.902 173.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -164.94 57.99 0.13 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.961 0.886 . . . . 0.0 110.876 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -90.69 32.67 0.96 Allowed 'General case' 0 C--O 1.249 1.071 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.683 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.42 118.81 0.55 Allowed 'General case' 0 C--O 1.246 0.903 0 O-C-N 121.058 -1.026 . . . . 0.0 110.75 -176.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.77 -11.77 60.98 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 70' ' ' ILE . 8.8 t -58.15 -26.1 62.27 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.301 -0.874 . . . . 0.0 110.649 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CE1' HG23 ' A' ' 70' ' ' ILE . 23.0 m-85 -150.01 93.25 1.99 Allowed 'General case' 0 C--O 1.248 0.976 0 O-C-N 121.837 -0.539 . . . . 0.0 110.536 171.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.674 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 6.7 tttp -125.79 135.17 51.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.999 0.904 . . . . 0.0 112.271 -172.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.967 HD13 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -80.34 151.19 29.59 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.156 0.583 . . . . 0.0 110.847 176.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.674 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 15.5 m-85 -109.88 174.13 6.01 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 121.165 -0.96 . . . . 0.0 111.299 174.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -65.86 -46.23 79.22 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 121.495 -0.753 . . . . 0.0 110.569 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -64.07 -20.13 65.73 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.448 -0.783 . . . . 0.0 110.385 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.613 ' O ' HG21 ' A' ' 21' ' ' ILE . . . 99.67 24.03 10.4 Favored Glycine 0 C--O 1.25 1.098 0 O-C-N 121.556 -0.715 . . . . 0.0 113.075 171.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.481 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -87.53 150.37 23.77 Favored 'General case' 0 C--O 1.247 0.971 0 O-C-N 120.857 -1.378 . . . . 0.0 110.731 173.043 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.986 HD22 HD12 ' A' ' 19' ' ' LEU . 7.7 tt -108.24 109.54 20.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.014 0.912 . . . . 0.0 111.613 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 11.8 ttmt -80.95 142.81 33.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.602 0.715 . . . . 0.0 110.963 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 59' ' ' THR . 2.3 mt -126.69 115.97 43.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-O 121.667 0.746 . . . . 0.0 110.624 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.41 135.15 35.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.64 0.733 . . . . 0.0 111.39 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t60 61.34 121.66 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.278 1.513 . . . . 0.0 111.362 -173.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.701 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 3.1 tm? -139.09 85.52 2.07 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.979 -1.076 . . . . 0.0 113.107 -178.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -107.28 -171.71 1.93 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.673 1.225 . . . . 0.0 109.834 169.153 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.423 ' HA ' HG13 ' A' ' 102' ' ' ILE . 88.3 m -47.18 -25.56 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.63 170.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.41 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -77.95 -49.05 14.89 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.833 0.825 . . . . 0.0 111.549 179.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.67 13.72 9.86 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.516 -0.74 . . . . 0.0 111.619 -176.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.577 ' HG3' HG12 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -93.21 101.49 13.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.317 1.056 . . . . 0.0 111.505 174.414 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.19 174.18 7.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.283 1.039 . . . . 0.0 111.183 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.626 HG22 ' CG2' ' A' ' 38' ' ' THR . 2.8 mp -96.54 151.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.91 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.835 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 73.8 m-85 -141.08 165.16 28.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.555 1.169 . . . . 0.0 111.423 -171.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 20.3 ttpt -151.58 133.82 15.24 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.697 173.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 85' ' ' ILE . 2.9 p -108.27 113.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.884 1.326 . . . . 0.0 110.94 -173.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.446 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 2.3 p -116.36 111.29 19.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.238 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.97 HG23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -118.42 123.22 71.25 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -173.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.555 ' HA ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -113.82 180.0 3.8 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 120.989 -1.07 . . . . 0.0 111.816 -167.713 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.737 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -97.89 -171.29 2.14 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 122.092 0.949 . . . . 0.0 110.862 -177.255 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -24.53 56.36 Favored 'General case' 0 C--O 1.252 1.229 0 O-C-N 121.403 -0.81 . . . . 0.0 112.133 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -112.44 30.14 7.34 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 120.951 -1.093 . . . . 0.0 112.154 -173.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.78 18.07 69.96 Favored Glycine 0 C--O 1.25 1.119 0 O-C-N 121.282 -0.886 . . . . 0.0 113.126 173.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.737 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -90.25 123.12 33.77 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.121 -1.223 . . . . 0.0 111.472 -177.351 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.31 99.39 0.03 OUTLIER 'General case' 0 C--O 1.243 0.724 0 O-C-N 121.511 -0.743 . . . . 0.0 110.736 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -77.55 -50.05 21.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 123.209 1.48 . . . . 0.0 110.468 -179.516 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.862 HD21 ' CG ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -152.12 145.44 24.74 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.994 175.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -129.63 153.46 48.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 -178.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HB2' HG13 ' A' ' 83' ' ' VAL . 4.5 mmmt -146.5 163.75 34.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.519 ' O ' ' HD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -126.18 138.54 54.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.749 0.785 . . . . 0.0 110.904 -178.424 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.737 ' CD1' HD23 ' A' ' 7' ' ' LEU . 20.8 m-30 -134.16 172.08 13.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.161 0.981 . . . . 0.0 111.744 -172.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 1.5 p30 -158.36 111.71 2.41 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.487 0.66 . . . . 0.0 111.742 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.835 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.31 141.25 47.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.868 0.842 . . . . 0.0 110.962 173.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' H ' HD23 ' A' ' 100' ' ' LEU . 28.0 mttp -130.02 -176.73 4.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 123.193 1.473 . . . . 0.0 111.423 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.725 ' CG2' HD12 ' A' ' 13' ' ' LEU . 5.0 mm -142.82 140.36 27.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.832 170.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.06 145.34 25.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.258 -171.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.07 53.3 0.18 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 124.241 1.972 . . . . 0.0 110.405 -173.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 C--O 1.27 2.169 0 CA-C-N 113.432 -1.713 . . . . 0.0 111.012 -179.573 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.461 ' H83' ' O2 ' ' A' ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . 0.461 ' O2 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . 0.451 ' H4 ' ' C5 ' ' A' ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . 0.451 ' C5 ' ' H4 ' ' A' ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.944 0.878 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -118.95 120.33 36.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.892 0.853 . . . . 0.0 110.98 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -148.71 136.89 14.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.868 0.842 . . . . 0.0 110.954 -175.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.9 p -127.84 168.21 15.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.948 0.88 . . . . 0.0 110.972 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.709 ' O ' HD12 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -139.18 45.45 1.97 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.386 1.089 . . . . 0.0 111.004 173.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 5' ' ' ASN . . . 179.81 167.75 1.21 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 122.113 0.958 . . . . 0.0 111.236 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.757 HD12 ' CE2' ' A' ' 98' ' ' PHE . 10.1 mt -142.58 78.94 1.64 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.205 1.002 . . . . 0.0 110.689 173.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -47.19 104.26 0.05 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.162 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.82 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -112.75 159.62 18.77 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.906 -0.496 . . . . 0.0 110.393 176.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -147.92 159.58 43.71 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 121.744 -0.597 . . . . 0.0 110.539 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.79 -170.45 24.38 Favored Glycine 0 C--O 1.239 0.413 0 CA-C-O 123.074 1.374 . . . . 0.0 112.731 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.524 ' HB3' ' OE1' ' A' ' 15' ' ' GLN . . . -124.97 170.79 10.77 Favored 'General case' 0 C--O 1.242 0.664 0 O-C-N 121.543 -0.975 . . . . 0.0 110.688 173.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.086 ' CD1' HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -89.96 134.33 34.29 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.592 1.663 . . . . 0.0 113.415 -172.556 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 47.04 7.06 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -172.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.524 ' OE1' ' HB3' ' A' ' 12' ' ' ALA . 1.2 tt0 -157.87 142.77 16.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 124.831 2.253 . . . . 0.0 116.164 -167.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 158.34 21.9 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.045 -173.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.025 ' CG2' HD21 ' A' ' 100' ' ' LEU . 8.7 tt -160.32 156.13 3.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.958 0.885 . . . . 0.0 110.811 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -116.74 121.24 41.03 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.237 1.018 . . . . 0.0 111.513 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.938 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 6.5 mt -79.58 107.69 12.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.934 0.874 . . . . 0.0 110.119 172.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.5 -151.48 0.09 Allowed 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -171.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.901 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -165.74 150.39 7.63 Favored Pre-proline 0 C--N 1.318 -0.767 0 O-C-N 121.484 -0.76 . . . . 0.0 110.363 -172.341 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.901 ' HD2' HG12 ' A' ' 21' ' ' ILE . 10.5 Cg_exo -40.49 177.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.439 1 C-N-CA 126.941 5.094 . . . . 0.0 116.143 177.315 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.59 31.6 0.75 Allowed 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.691 -172.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.03 ' HD2' HD12 ' A' ' 94' ' ' LEU . 22.7 m-85 -107.28 164.8 11.87 Favored 'General case' 0 C--O 1.244 0.815 0 O-C-N 121.479 -0.763 . . . . 0.0 110.557 171.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -139.69 114.09 9.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.973 0.892 . . . . 0.0 111.055 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.96 ' HG2' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -80.3 171.38 15.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.866 0.841 . . . . 0.0 110.826 177.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.82 -97.77 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.093 0.949 . . . . 0.0 110.736 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.33 -27.25 24.42 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.049 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -83.63 -28.02 28.73 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.235 -0.916 . . . . 0.0 113.107 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.96 HD12 ' HG2' ' A' ' 26' ' ' MET . 1.9 mt -86.6 142.0 13.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 -175.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.76 -30.25 4.18 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -171.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' C ' HG12 ' A' ' 33' ' ' ILE . 4.3 m-20 -133.19 168.32 18.76 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.163 1.459 . . . . 0.0 111.87 -172.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.986 HG23 HG23 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -148.41 153.45 11.41 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.549 -173.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -158.36 144.4 17.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.739 1.733 . . . . 0.0 112.593 172.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.938 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 32.7 m95 -137.25 109.28 7.19 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.162 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.07 167.69 9.87 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.167 0.984 . . . . 0.0 110.796 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 44' ' ' ILE . 4.0 mttt -94.8 -178.03 4.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.412 1.101 . . . . 0.0 111.107 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 1.036 HG22 ' HB ' ' A' ' 80' ' ' ILE . 39.4 p -45.63 -120.62 0.0 OUTLIER 'General case' 0 C--O 1.256 1.443 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 1.3 m -74.49 -22.59 58.99 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 119.775 -1.828 . . . . 0.0 110.44 -172.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.764 ' C ' ' HG3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -61.94 -36.34 81.12 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.277 172.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.764 ' HG3' ' C ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 49.56 45.19 24.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.76 1.267 . . . . 0.0 110.185 -178.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.798 ' NZ ' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -118.72 111.58 18.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.625 1.202 . . . . 0.0 110.965 -172.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' O ' ' HE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -49.57 95.9 0.01 OUTLIER 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.661 -173.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.457 HG23 ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.35 -31.54 52.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 121.697 -0.627 . . . . 0.0 110.669 171.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.572 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -140.45 135.89 32.45 Favored 'General case' 0 C--O 1.259 1.559 0 O-C-N 121.75 -0.594 . . . . 0.0 110.573 -174.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' HB3' ' HD2' ' A' ' 54' ' ' PHE . 4.5 tt0 -159.2 156.47 28.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 123.808 1.766 . . . . 0.0 113.824 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' HD1' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -120.51 135.0 55.2 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.431 172.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.544 ' N ' ' HD1' ' A' ' 47' ' ' PHE . 18.1 ttt180 -162.75 114.18 1.53 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.456 0.646 . . . . 0.0 111.129 -177.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 tptm 68.13 146.65 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.966 0.888 . . . . 0.0 110.607 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -90.26 35.93 0.87 Allowed 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.636 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -120.08 -8.4 9.75 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 178.81 145.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.044 -174.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 p -121.94 168.83 11.44 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.644 0.735 . . . . 0.0 111.048 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.575 ' HD2' ' HB3' ' A' ' 46' ' ' GLN . 3.0 t80 -109.45 97.16 6.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.642 0.734 . . . . 0.0 110.975 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.31 92.42 0.73 Allowed 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -75.51 -31.85 60.31 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.666 -0.647 . . . . 0.0 111.565 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -150.09 158.39 44.12 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.433 -0.792 . . . . 0.0 110.896 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -22.12 60.97 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.566 -0.709 . . . . 0.0 112.707 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 59.0 m -48.52 -23.04 0.85 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.055 0.455 . . . . 0.0 110.325 174.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.627 ' HE2' ' CE2' ' A' ' 81' ' ' TYR . 22.8 m-85 -150.97 83.88 1.33 Allowed 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 172.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.729 ' HB3' ' HE1' ' A' ' 63' ' ' PHE . 1.4 tttt -94.29 158.78 15.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.918 1.342 . . . . 0.0 112.482 -172.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.859 HD11 HG21 ' A' ' 33' ' ' ILE . 15.7 tp -117.04 145.44 43.71 Favored 'General case' 0 C--O 1.254 1.337 0 C-N-CA 124.126 0.97 . . . . 0.0 109.865 172.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.754 ' HD1' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -126.89 168.44 14.49 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.959 -1.088 . . . . 0.0 111.294 178.099 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -33.22 73.35 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.62 0.724 . . . . 0.0 111.148 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -84.64 9.13 14.6 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.533 -0.729 . . . . 0.0 112.102 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.57 17.15 64.58 Favored Glycine 0 C--O 1.252 1.219 0 O-C-N 120.857 -1.152 . . . . 0.0 112.851 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -90.22 149.72 22.28 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.842 -1.387 . . . . 0.0 111.081 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -129.25 115.81 18.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.758 0.79 . . . . 0.0 111.101 173.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 tttt -104.26 105.92 16.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.913 -0.492 . . . . 0.0 111.884 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -99.71 118.74 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.547 1.165 . . . . 0.0 108.667 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -91.24 136.15 33.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 118.65 2.833 . . . . 0.0 118.65 -165.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.469 ' O ' HD23 ' A' ' 73' ' ' LEU . 55.8 t-80 35.16 85.42 0.01 OUTLIER 'General case' 0 C--O 1.242 0.666 0 C-N-CA 127.592 2.357 . . . . 0.0 115.014 166.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.866 ' HB2' ' CG ' ' A' ' 77' ' ' ASP . 61.4 mt -158.29 169.87 23.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 125.378 2.513 . . . . 0.0 114.073 174.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.23 -153.86 0.33 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.295 -171.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.499 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 67.8 m -48.92 -23.06 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 120.799 -1.188 . . . . 0.0 112.955 172.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -46.87 88.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.502 1.144 . . . . 0.0 111.962 177.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.866 ' CG ' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -69.37 -11.36 60.76 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.056 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.479 HE21 HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -79.97 115.94 19.83 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.261 -0.9 . . . . 0.0 110.77 177.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.498 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 8.7 m-20 -153.55 173.08 16.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.513 1.149 . . . . 0.0 111.151 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.036 ' HB ' HG22 ' A' ' 38' ' ' THR . 1.0 OUTLIER -96.32 131.91 41.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-O 123.381 1.562 . . . . 0.0 110.607 173.019 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.627 ' CE2' ' HE2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -126.36 167.19 15.87 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.322 1.049 . . . . 0.0 110.631 -173.095 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.748 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 3.0 ttpm? -153.37 130.17 10.89 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 121.167 -0.958 . . . . 0.0 110.705 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.991 ' CG2' HD11 ' A' ' 85' ' ' ILE . 12.2 p -103.23 127.53 57.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 122.687 1.232 . . . . 0.0 111.457 -173.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -133.45 107.46 8.06 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 123.643 0.777 . . . . 0.0 110.423 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.991 HD11 ' CG2' ' A' ' 83' ' ' VAL . 2.0 mm -116.19 119.55 62.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.559 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.033 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.523 ' O ' HG23 ' A' ' 30' ' ' ILE . 4.6 m-85 -111.34 162.96 14.48 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 120.212 -1.555 . . . . 0.0 112.922 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.696 ' HB3' HG11 ' A' ' 93' ' ' VAL . 10.3 p-10 -88.54 -168.96 2.36 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.793 1.282 . . . . 0.0 111.263 174.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -30.21 71.27 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.46 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -89.83 16.33 8.28 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.44 -0.787 . . . . 0.0 112.414 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 16.37 70.39 Favored Glycine 0 C--O 1.252 1.228 0 O-C-N 120.887 -1.133 . . . . 0.0 112.459 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.19 143.16 27.21 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.018 -1.283 . . . . 0.0 111.282 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -78.72 84.51 4.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.262 1.03 . . . . 0.0 110.573 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.696 HG11 ' HB3' ' A' ' 87' ' ' ASP . 2.4 m -70.34 -18.6 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.742 0.782 . . . . 0.0 112.536 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.03 HD12 ' HD2' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -152.22 146.76 25.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.897 0.856 . . . . 0.0 110.88 174.148 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -154.07 152.34 30.35 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.352 0.596 . . . . 0.0 110.736 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.748 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -173.21 162.03 4.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.357 1.075 . . . . 0.0 111.297 -176.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 5' ' ' ASN . 5.1 mt -114.26 141.03 32.03 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.755 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.784 ' CE1' HG12 ' A' ' 83' ' ' VAL . 6.3 m-85 -136.53 167.32 21.59 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.455 -0.778 . . . . 0.0 111.197 -175.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -161.56 87.39 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.031 0.92 . . . . 0.0 111.038 -173.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.025 HD21 ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.9 103.56 0.6 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.143 0.973 . . . . 0.0 111.111 173.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.451 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -101.98 161.72 13.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 123.264 1.507 . . . . 0.0 112.036 176.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 1.086 HD12 ' CD1' ' A' ' 13' ' ' LEU . 1.2 mm -127.6 153.33 36.73 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.623 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -143.49 143.23 31.48 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.724 1.25 . . . . 0.0 111.794 -171.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.16 54.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 124.512 2.101 . . . . 0.0 110.527 -173.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 C--O 1.27 2.149 0 CA-C-N 113.287 -1.779 . . . . 0.0 111.142 176.275 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . 0.452 ' H5 ' ' CD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 C--O 1.24 0.59 0 CA-C-O 121.935 0.874 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -129.27 83.64 2.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.825 0.821 . . . . 0.0 111.01 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mt -108.61 163.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.039 0.923 . . . . 0.0 111.079 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.1 p -100.38 175.55 5.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.593 1.187 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -134.09 43.94 2.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.861 1.315 . . . . 0.0 110.542 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.89 173.45 6.32 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 122.76 1.267 . . . . 0.0 111.535 -175.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 11.2 mt -127.85 94.67 4.0 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.541 1.162 . . . . 0.0 111.19 -173.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.44 107.55 0.15 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.054 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.61 141.97 45.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.724 0.773 . . . . 0.0 110.964 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -131.38 159.78 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.05 0.929 . . . . 0.0 111.085 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.86 -153.3 6.35 Favored Glycine 0 C--O 1.239 0.452 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.75 ' HA ' HG23 ' A' ' 102' ' ' ILE . . . -161.63 146.29 13.15 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.52 0.676 . . . . 0.0 110.766 173.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.876 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -50.64 118.65 3.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 123.401 1.572 . . . . 0.0 110.64 174.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.876 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 90.18 43.98 4.84 Favored Glycine 0 C--O 1.245 0.84 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 174.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.696 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 2.1 tp60 -130.15 169.88 14.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 123.561 1.648 . . . . 0.0 112.951 -171.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.443 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -126.43 138.97 53.59 Favored 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 172.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.683 HG21 HD21 ' A' ' 100' ' ' LEU . 4.8 tp -147.49 172.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.579 1.18 . . . . 0.0 112.295 -171.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -131.33 138.73 49.33 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.094 0.95 . . . . 0.0 111.738 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.023 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.6 OUTLIER -87.11 95.21 9.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.576 0.703 . . . . 0.0 110.227 172.224 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.31 108.84 20.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.118 1.437 . . . . 0.0 111.603 -171.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.952 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 11.0 tp -70.26 154.79 94.28 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.035 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.952 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 10.4 Cg_exo -41.65 -175.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.386 1 C-N-CA 127.318 5.345 . . . . 0.0 116.346 173.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.33 29.78 0.74 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.717 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -104.85 122.71 46.32 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.435 0.636 . . . . 0.0 110.594 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.21 143.54 50.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.038 0.923 . . . . 0.0 111.398 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.415 ' HB2' ' CG2' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -71.82 154.54 41.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.924 0.869 . . . . 0.0 111.013 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.8 t -132.94 -122.7 0.18 Allowed 'General case' 0 C--O 1.254 1.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 -175.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -88.12 -27.43 21.92 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 120.708 -1.245 . . . . 0.0 112.045 -173.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.7 -26.81 20.48 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.203 -0.936 . . . . 0.0 113.113 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 86' ' ' TYR . 30.7 mt -87.52 161.67 2.78 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 CA-C-O 121.125 0.488 . . . . 0.0 110.817 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HB2' HG22 ' A' ' 88' ' ' THR . 0.4 OUTLIER -150.07 -36.68 0.15 Allowed 'General case' 0 C--O 1.262 1.762 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.0 158.76 16.07 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.197 -1.564 . . . . 0.0 112.034 -171.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.053 HG23 HD13 ' A' ' 85' ' ' ILE . 5.2 mt -140.07 157.53 25.61 Favored 'Isoleucine or valine' 0 C--O 1.251 1.165 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.651 173.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -158.72 141.14 14.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.535 1.636 . . . . 0.0 112.228 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 1.023 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 38.7 m95 -133.36 120.84 21.5 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.011 172.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.6 150.97 22.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.67 0.748 . . . . 0.0 110.689 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.865 ' HB3' HG23 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -102.75 145.27 29.98 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.928 -0.482 . . . . 0.0 109.958 176.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.811 HG21 ' CG2' ' A' ' 80' ' ' ILE . 7.8 p -76.39 -37.12 57.62 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 121.354 -0.841 . . . . 0.0 111.701 -171.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -64.61 0.78 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.883 0.849 . . . . 0.0 111.143 -173.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -11.03 40.55 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.258 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp 59.12 62.44 1.85 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.821 1.296 . . . . 0.0 110.471 -173.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -152.03 128.08 10.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 123.199 1.476 . . . . 0.0 112.964 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.92 97.89 0.01 OUTLIER 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.109 0.964 . . . . 0.0 112.544 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.865 HG23 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -68.11 -28.42 40.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.91 0 O-C-N 121.852 -0.53 . . . . 0.0 111.329 172.211 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . . . -144.39 146.83 32.74 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.231 -0.918 . . . . 0.0 110.768 -177.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.56 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -168.56 159.69 10.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 123.512 1.625 . . . . 0.0 112.834 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.56 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -123.51 134.52 53.87 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.821 175.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -167.98 126.02 1.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.973 0.892 . . . . 0.0 111.53 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 51' ' ' LYS . 1.1 tttp 69.09 142.46 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.006 0.908 . . . . 0.0 110.999 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -90.59 36.98 0.9 Allowed 'General case' 0 C--O 1.251 1.151 0 O-C-N 121.822 -0.549 . . . . 0.0 111.665 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -120.24 -9.34 9.55 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 173.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER 172.14 150.7 0.06 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.211 -1.359 . . . . 0.0 110.949 -176.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.487 HG21 ' HE1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.68 -172.02 2.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.676 0.751 . . . . 0.0 111.038 -174.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' HD2' ' HA ' ' A' ' 45' ' ' ALA . 43.9 t80 -127.0 94.6 4.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.905 0.859 . . . . 0.0 111.246 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -159.34 62.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.252 1.025 . . . . 0.0 110.612 173.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.83 -26.55 47.14 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.696 -172.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 59' ' ' THR . 11.2 mmmt -149.31 168.03 24.45 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.94 -1.1 . . . . 0.0 111.292 -173.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.26 -10.56 56.36 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.667 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 70' ' ' ILE . 10.2 t -65.12 -21.33 66.78 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.266 -0.897 . . . . 0.0 110.916 173.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.879 ' HE1' ' HE2' ' A' ' 81' ' ' TYR . 21.9 m-85 -150.09 92.42 1.88 Allowed 'General case' 0 C--O 1.245 0.824 0 O-C-N 121.596 -0.69 . . . . 0.0 110.754 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -110.77 154.55 23.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.698 1.237 . . . . 0.0 111.858 -173.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.972 HD11 HG21 ' A' ' 33' ' ' ILE . 4.9 tp -108.25 150.03 27.82 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.741 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -128.85 177.43 7.09 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.176 -0.952 . . . . 0.0 111.361 177.325 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -72.6 -40.97 66.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.768 0.794 . . . . 0.0 111.423 -173.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -87.22 15.39 6.32 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 121.936 -0.477 . . . . 0.0 112.182 -173.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' HA2' HD12 ' A' ' 85' ' ' ILE . . . 77.89 22.94 67.83 Favored Glycine 0 C--O 1.251 1.175 0 O-C-N 121.0 -1.063 . . . . 0.0 112.409 -177.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -90.59 141.14 29.07 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 120.951 -1.323 . . . . 0.0 111.132 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.839 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.5 tt -107.74 153.07 23.5 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.399 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 tmmt? -134.27 114.16 12.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.607 0.717 . . . . 0.0 110.86 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -108.68 103.05 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 122.229 1.014 . . . . 0.0 110.736 -178.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -89.3 140.69 29.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 -173.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 61.68 123.27 0.01 OUTLIER 'General case' 0 C--O 1.243 0.753 0 CA-C-O 122.95 1.357 . . . . 0.0 110.822 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.696 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -139.82 163.35 32.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.751 1.263 . . . . 0.0 109.319 -171.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.78 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -153.58 -148.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.446 168.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.459 ' HA ' HG13 ' A' ' 102' ' ' ILE . 96.2 m -82.0 -29.96 31.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 123.7 1.714 . . . . 0.0 109.431 164.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -54.05 12.58 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.213 172.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.476 ' CB ' ' HA ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -71.11 -0.87 10.59 Favored 'General case' 0 C--O 1.254 1.341 0 O-C-N 121.016 -1.052 . . . . 0.0 110.604 -177.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.467 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -87.58 137.85 31.98 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.691 -1.256 . . . . 0.0 110.625 171.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-20 -158.49 167.5 29.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.272 1.034 . . . . 0.0 111.769 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.811 ' CG2' HG21 ' A' ' 38' ' ' THR . 2.4 mp -92.22 143.53 11.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 O-C-N 121.703 -0.623 . . . . 0.0 110.044 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.879 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 84.1 m-85 -134.07 169.38 17.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.988 0.899 . . . . 0.0 110.826 -171.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.8 128.03 12.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.887 0.851 . . . . 0.0 110.808 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 21' ' ' ILE . 3.7 p -104.99 115.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.572 1.177 . . . . 0.0 110.896 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.61 119.64 28.63 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.601 0.761 . . . . 0.0 110.079 176.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.053 HD13 HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -125.53 129.52 72.81 Favored 'Isoleucine or valine' 0 C--O 1.26 1.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -172.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -124.48 165.13 18.32 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 120.203 -1.56 . . . . 0.0 112.472 -167.378 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.479 ' OD1' HG13 ' A' ' 93' ' ' VAL . 3.9 p-10 -79.43 -174.56 4.28 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 122.317 1.055 . . . . 0.0 111.088 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -60.91 -32.0 71.5 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.582 -177.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -95.53 25.27 4.59 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.419 -0.801 . . . . 0.0 112.33 -173.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.82 25.03 70.32 Favored Glycine 0 C--O 1.249 1.044 0 O-C-N 121.006 -1.059 . . . . 0.0 112.727 172.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.52 127.66 36.31 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.174 -1.192 . . . . 0.0 111.264 173.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 93.22 1.69 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.006 0.908 . . . . 0.0 110.713 175.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.479 HG13 ' OD1' ' A' ' 87' ' ' ASP . 29.6 m -76.63 -37.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.59 1.186 . . . . 0.0 111.689 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.726 HD22 ' H ' ' A' ' 95' ' ' GLU . 0.8 OUTLIER -155.67 142.15 18.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.609 1.195 . . . . 0.0 110.778 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.726 ' H ' HD22 ' A' ' 94' ' ' LEU . 13.3 pt-20 -145.36 170.88 15.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.507 1.146 . . . . 0.0 111.884 -172.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HD3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -170.59 159.25 6.64 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.917 -178.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.73 129.56 75.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 CA-C-O 121.364 0.602 . . . . 0.0 110.885 -178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.825 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 19.4 m-85 -115.99 171.64 7.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.913 0.863 . . . . 0.0 111.271 -174.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.99 94.12 1.5 Allowed 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.872 -0.518 . . . . 0.0 111.506 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 101' ' ' LYS . 1.5 tm? -77.08 130.89 38.0 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.318 -0.864 . . . . 0.0 110.908 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.742 ' N ' HD13 ' A' ' 100' ' ' LEU . 47.3 mttt -133.69 171.34 14.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.051 0.929 . . . . 0.0 111.352 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.75 HG23 ' HA ' ' A' ' 12' ' ' ALA . 31.7 mm -120.72 145.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 122.049 0.928 . . . . 0.0 110.526 172.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.15 141.35 50.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.487 -174.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.57 86.11 0.57 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.055 1.407 . . . . 0.0 110.631 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.5 ptt85 . . . . . 0 C--O 1.27 2.172 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.075 -177.844 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . 0.584 ' H5 ' ' HD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.953 0.883 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -141.0 71.28 1.36 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.856 0.836 . . . . 0.0 110.995 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 mm -88.05 113.88 25.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.769 0.795 . . . . 0.0 110.96 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p -162.08 174.49 12.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.655 1.217 . . . . 0.0 111.547 -173.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.61 46.36 1.49 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.481 1.134 . . . . 0.0 110.442 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.52 177.93 8.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.439 1.59 . . . . 0.0 112.152 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.044 HD23 ' CD2' ' A' ' 98' ' ' PHE . 9.1 tp -127.75 123.39 35.21 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.65 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.89 94.0 0.3 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.869 0.843 . . . . 0.0 110.956 173.616 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.876 HG21 HD23 ' A' ' 19' ' ' LEU . 2.4 m -101.51 100.68 11.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.867 0.842 . . . . 0.0 110.822 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.529 ' O ' HD12 ' A' ' 17' ' ' ILE . 95.9 m95 -98.23 157.15 16.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.026 0.917 . . . . 0.0 111.579 -173.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.595 ' HA3' HG21 ' A' ' 17' ' ' ILE . . . -157.18 -144.75 4.02 Favored Glycine 0 C--O 1.24 0.475 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 1.055 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -139.56 166.33 24.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.877 0.846 . . . . 0.0 110.934 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 9.4 tt -93.16 116.72 29.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.829 1.299 . . . . 0.0 110.63 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.42 44.12 8.15 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -169.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 1.055 ' CG ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -127.34 -170.52 2.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 124.38 2.038 . . . . 0.0 112.855 -169.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.44 126.12 17.95 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.723 171.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.595 HG21 ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -142.03 173.55 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.516 0 CA-C-O 122.633 1.206 . . . . 0.0 111.364 -172.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' N ' HG13 ' A' ' 17' ' ' ILE . 10.9 m120 -119.57 173.6 6.9 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 123.759 1.743 . . . . 0.0 112.855 -173.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.979 ' CD1' HD23 ' A' ' 68' ' ' LEU . 11.4 mt -127.09 124.23 38.73 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 125.202 1.401 . . . . 0.0 109.793 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.1 -163.95 1.11 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 123.0 1.381 . . . . 0.0 111.565 -171.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.911 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.73 157.6 14.4 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.559 -171.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.923 ' HG2' HD21 ' A' ' 94' ' ' LEU . 21.1 Cg_exo -43.11 169.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.552 1 C-N-CA 126.579 4.853 . . . . 0.0 115.214 -178.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.99 31.97 0.94 Allowed 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.441 -0.787 . . . . 0.0 111.884 -173.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -90.52 168.37 11.87 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.317 -0.864 . . . . 0.0 110.836 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -126.44 66.28 1.23 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.357 1.075 . . . . 0.0 111.045 174.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -55.6 131.32 46.04 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.467 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -124.34 -120.31 0.27 Allowed 'General case' 0 C--O 1.254 1.298 0 O-C-N 121.311 -0.868 . . . . 0.0 110.216 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.93 12.01 4.5 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 120.738 -1.226 . . . . 0.0 112.53 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -93.1 -28.02 16.59 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.741 -1.224 . . . . 0.0 112.855 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 93' ' ' VAL . 2.1 mm -90.07 145.7 7.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.749 0.785 . . . . 0.0 111.152 -173.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.27 -37.96 1.62 Allowed 'General case' 0 C--O 1.251 1.136 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.209 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' C ' HG12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -116.32 155.99 27.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.765 1.269 . . . . 0.0 111.659 -172.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.088 HG23 HG23 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -149.73 132.0 6.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.507 -176.344 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -140.73 135.76 31.88 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.134 1.445 . . . . 0.0 112.103 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.939 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 55.8 m95 -131.2 125.41 32.88 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.917 172.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.01 159.62 25.26 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-O 121.432 0.635 . . . . 0.0 110.847 -176.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 26.7 ttpt -84.21 97.26 9.29 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.72 HG23 ' C ' ' A' ' 81' ' ' TYR . 19.3 p -35.55 -42.22 0.22 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -171.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -64.18 -71.23 0.18 Allowed 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.487 0.66 . . . . 0.0 112.211 -173.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 19.62 15.4 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 121.344 -0.848 . . . . 0.0 113.059 -172.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.67 61.69 2.87 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 120.978 -1.076 . . . . 0.0 110.46 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' ILE . 20.9 mttp -119.35 94.38 4.4 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 122.597 1.189 . . . . 0.0 112.422 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -44.8 99.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.046 0.927 . . . . 0.0 111.445 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.919 HD12 ' CD1' ' A' ' 60' ' ' TYR . 28.1 pt -92.33 -45.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.135 0.969 . . . . 0.0 110.976 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.732 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -133.95 142.44 47.69 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.529 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.529 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 5.2 tt0 -160.61 153.95 21.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.106 1.432 . . . . 0.0 112.414 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 46' ' ' GLN . 2.0 m-85 -138.01 85.75 2.12 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.744 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -104.96 79.3 1.49 Allowed 'General case' 0 C--O 1.245 0.816 0 CA-C-O 121.284 0.564 . . . . 0.0 111.184 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 69.13 154.59 0.12 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.362 1.077 . . . . 0.0 110.164 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -86.91 40.01 0.88 Allowed 'General case' 0 C--O 1.249 1.078 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.297 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.84 -6.93 11.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.633 1.206 . . . . 0.0 113.918 172.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -175.77 75.25 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.837 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.18 171.55 10.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.866 0.841 . . . . 0.0 111.269 -173.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HD1' ' C ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -132.67 101.25 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.764 0.792 . . . . 0.0 111.27 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 53.59 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.865 0.841 . . . . 0.0 111.106 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -1.45 28.56 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -173.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.633 ' HB3' HG22 ' A' ' 59' ' ' THR . 8.6 tttm -155.07 149.84 26.59 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 120.811 -1.18 . . . . 0.0 111.303 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -74.37 -17.53 60.8 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.633 HG22 ' HB3' ' A' ' 57' ' ' LYS . 10.2 t -52.01 -26.5 10.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.86 0.838 . . . . 0.0 110.731 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.919 ' CD1' HD12 ' A' ' 44' ' ' ILE . 49.3 m-85 -150.67 96.02 2.31 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 121.223 0.535 . . . . 0.0 110.614 171.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.65 126.0 53.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.894 0.854 . . . . 0.0 111.694 -172.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.732 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 1.1 tp -86.7 141.56 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 121.479 -0.763 . . . . 0.0 111.196 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.623 ' H ' HD12 ' A' ' 62' ' ' LEU . 22.7 m-85 -112.51 173.67 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.993 0.901 . . . . 0.0 111.256 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -77.3 -39.98 45.98 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.743 0.782 . . . . 0.0 111.154 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -70.43 -5.17 26.51 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 121.679 -0.638 . . . . 0.0 111.843 178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.78 17.32 33.32 Favored Glycine 0 C--O 1.252 1.232 0 O-C-N 120.84 -1.162 . . . . 0.0 112.462 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 19' ' ' LEU . 1.3 m -90.1 168.17 12.18 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 120.86 -1.376 . . . . 0.0 110.947 173.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.979 HD23 ' CD1' ' A' ' 19' ' ' LEU . 18.3 tp -135.12 130.34 35.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.715 0.769 . . . . 0.0 111.026 174.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -107.96 126.14 52.35 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.378 -0.827 . . . . 0.0 110.902 -173.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.488 HG13 ' CE1' ' A' ' 60' ' ' TYR . 1.1 tt -121.83 112.53 35.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.752 1.263 . . . . 0.0 110.102 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.88 149.17 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.56 1.172 . . . . 0.0 112.009 -172.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 49.68 81.03 0.06 Allowed 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.18 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.033 HD23 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -132.93 100.95 5.06 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.861 1.791 . . . . 0.0 113.095 -173.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.19 -159.19 0.66 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.115 171.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 m -49.86 -28.98 7.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.518 1.151 . . . . 0.0 111.978 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -32.62 31.12 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.219 -173.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -73.97 -19.54 60.63 Favored 'General case' 0 C--O 1.255 1.37 0 O-C-N 121.219 -0.926 . . . . 0.0 111.99 177.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.636 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -69.22 103.59 1.98 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.099 -1.001 . . . . 0.0 110.938 -174.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -133.96 162.79 31.1 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 110.92 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.516 HG22 ' OG1' ' A' ' 38' ' ' THR . 0.1 OUTLIER -89.16 147.2 5.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.768 0.794 . . . . 0.0 110.539 175.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.91 ' CD2' HD11 ' A' ' 19' ' ' LEU . 14.5 m-85 -138.27 166.46 24.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.078 0.942 . . . . 0.0 111.522 -171.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -154.35 129.07 9.33 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.785 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.811 HG12 ' CE1' ' A' ' 98' ' ' PHE . 9.8 p -101.97 121.47 53.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 122.7 1.238 . . . . 0.0 111.314 -173.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.664 ' CB ' ' HE1' ' A' ' 86' ' ' TYR . 85.1 p -117.29 112.87 21.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.462 173.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.088 HG23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -121.82 119.27 58.25 Favored 'Isoleucine or valine' 0 C--O 1.247 0.931 0 CA-C-O 121.305 0.574 . . . . 0.0 109.912 -173.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.686 ' N ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -115.19 160.36 19.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.702 1.239 . . . . 0.0 112.588 -167.319 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' CG ' ' CG1' ' A' ' 93' ' ' VAL . 31.3 p30 -90.6 -176.35 4.71 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.544 1.164 . . . . 0.0 111.37 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -29.43 67.88 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.921 -175.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -93.89 26.03 3.37 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 121.215 -0.928 . . . . 0.0 112.512 -172.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.18 11.04 66.71 Favored Glycine 0 C--O 1.25 1.148 0 O-C-N 120.934 -1.104 . . . . 0.0 113.307 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 133.5 35.18 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 121.104 -1.233 . . . . 0.0 111.556 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -73.59 87.99 1.66 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.022 1.868 . . . . 0.0 109.436 172.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.896 HG21 HD11 ' A' ' 30' ' ' ILE . 19.5 m -72.15 -31.63 40.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 114.815 -1.084 . . . . 0.0 112.292 -172.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.923 HD21 ' HG2' ' A' ' 22' ' ' PRO . 29.8 tp -152.09 156.55 40.12 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.224 1.012 . . . . 0.0 110.836 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -160.29 151.28 19.01 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.793 0.806 . . . . 0.0 110.947 -172.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.811 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 9.9 mmtt -157.35 160.27 38.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.849 0.833 . . . . 0.0 110.867 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -114.51 141.0 32.52 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 121.605 0.717 . . . . 0.0 110.819 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 1.044 ' CD2' HD23 ' A' ' 7' ' ' LEU . 12.7 m-85 -142.29 178.21 7.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.925 0.869 . . . . 0.0 111.418 -173.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.495 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -177.21 117.25 0.1 Allowed 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.49 0.662 . . . . 0.0 111.922 176.469 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.033 HD21 HD23 ' A' ' 73' ' ' LEU . 1.1 tp -57.0 163.07 2.16 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.513 -0.742 . . . . 0.0 110.749 172.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.729 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 1.3 mttt -151.14 162.88 40.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.645 1.212 . . . . 0.0 111.769 173.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 13' ' ' LEU . 19.8 mm -117.52 141.66 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.006 0.908 . . . . 0.0 109.741 170.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.672 ' HG3' ' N ' ' A' ' 104' ' ' GLU . 1.1 tt0 -126.75 163.54 23.3 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.757 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.672 ' N ' ' HG3' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -163.99 87.3 0.5 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.875 1.322 . . . . 0.0 110.719 -173.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.271 2.186 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.157 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . 0.47 ' H62' ' C7 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.47 ' C7 ' ' H62' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.586 0 CA-C-O 121.965 0.888 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -168.37 149.02 4.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.995 0.903 . . . . 0.0 110.973 -174.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.29 103.91 15.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.986 0.898 . . . . 0.0 110.96 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.9 p -159.87 175.64 12.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.292 1.044 . . . . 0.0 110.904 -176.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -129.19 41.2 3.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 123.109 1.433 . . . . 0.0 110.192 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.4 172.95 15.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.878 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.071 HD12 ' CE2' ' A' ' 98' ' ' PHE . 85.4 mt -115.71 113.18 23.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.796 0.808 . . . . 0.0 111.155 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.41 86.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.544 1.164 . . . . 0.0 109.582 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.41 132.48 43.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.518 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -130.04 152.86 49.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.741 0.782 . . . . 0.0 111.359 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.4 -146.92 4.71 Favored Glycine 0 C--O 1.24 0.5 0 CA-C-O 121.968 0.76 . . . . 0.0 111.361 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.632 ' C ' HD13 ' A' ' 102' ' ' ILE . . . -150.59 134.13 16.47 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.86 -0.788 . . . . 0.0 111.03 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -48.62 122.04 5.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.636 1.684 . . . . 0.0 110.776 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.927 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 94.43 42.23 4.01 Favored Glycine 0 C--O 1.245 0.784 0 N-CA-C 108.452 -1.859 . . . . 0.0 108.452 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' O ' HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -150.34 154.09 37.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.461 2.077 . . . . 0.0 115.102 -169.255 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -90.79 140.7 29.55 Favored 'General case' 0 C--O 1.251 1.164 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.408 171.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.654 HG22 HD13 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -139.02 150.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 122.251 1.024 . . . . 0.0 111.659 -172.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.469 ' N ' HG13 ' A' ' 17' ' ' ILE . 51.0 p-10 -98.76 147.0 25.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.926 1.346 . . . . 0.0 111.359 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.869 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 5.6 mt -108.51 106.74 16.97 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.04 -158.11 0.12 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.914 0.864 . . . . 0.0 110.901 -171.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.956 HG13 ' HD2' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -164.75 161.88 15.07 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 121.678 0.751 . . . . 0.0 110.809 -172.339 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.956 ' HD2' HG13 ' A' ' 21' ' ' ILE . 30.9 Cg_exo -45.18 174.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.455 1 C-N-CA 126.526 4.818 . . . . 0.0 115.167 177.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -90.15 32.03 0.95 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.789 -174.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.667 ' CD1' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -131.73 149.26 52.54 Favored 'General case' 0 C--O 1.245 0.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.54 173.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.32 149.3 48.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.212 1.006 . . . . 0.0 111.143 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.686 ' HB3' HG21 ' A' ' 30' ' ' ILE . 4.6 ptt? -51.3 154.52 1.68 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.973 0.892 . . . . 0.0 110.912 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.03 -89.12 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.608 1.194 . . . . 0.0 111.041 -173.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.96 -58.35 5.73 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.057 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -154.68 49.57 0.6 Allowed 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.982 -1.074 . . . . 0.0 113.045 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -89.88 142.42 12.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 O-C-N 120.791 -1.193 . . . . 0.0 110.144 171.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.43 -41.82 1.21 Allowed 'General case' 0 C--O 1.261 1.68 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -171.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -123.35 150.11 44.06 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.204 -1.56 . . . . 0.0 112.13 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.942 ' HA ' HG23 ' A' ' 85' ' ' ILE . 1.4 mp -144.92 110.98 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.771 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -113.71 146.06 40.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.558 1.17 . . . . 0.0 111.338 -173.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.869 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 40.6 m95 -138.69 124.18 19.48 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.688 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.21 165.9 12.64 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.811 -0.556 . . . . 0.0 110.948 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.638 ' HB3' HD13 ' A' ' 44' ' ' ILE . 4.1 ptmt -104.91 89.28 3.11 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.246 1.022 . . . . 0.0 108.857 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.516 ' OG1' HG22 ' A' ' 80' ' ' ILE . 3.1 p -47.06 -22.98 0.41 Allowed 'General case' 0 C--O 1.255 1.373 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -169.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -48.29 -69.15 0.13 Allowed 'General case' 0 C--O 1.244 0.8 0 O-C-N 120.927 -1.108 . . . . 0.0 111.025 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.64 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -101.57 16.96 24.07 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.724 -0.61 . . . . 0.0 112.002 172.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 14.0 pttt 46.36 57.14 5.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.815 1.293 . . . . 0.0 110.47 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.64 ' HB2' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -127.42 120.08 27.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 123.147 1.451 . . . . 0.0 112.83 -173.296 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.72 151.07 0.21 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 122.902 1.334 . . . . 0.0 112.321 -174.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.638 HD13 ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -141.31 -43.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 122.396 1.093 . . . . 0.0 110.794 -179.046 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.614 ' HB3' HD13 ' A' ' 68' ' ' LEU . . . -140.74 145.54 36.56 Favored 'General case' 0 C--O 1.253 1.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.472 174.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.14 147.27 12.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.971 1.367 . . . . 0.0 112.87 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.472 ' HD2' ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -120.43 123.08 42.15 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.323 172.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -145.2 83.83 1.69 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.328 0.585 . . . . 0.0 110.792 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.81 159.39 0.09 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.363 1.554 . . . . 0.0 110.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.48 37.02 0.67 Allowed 'General case' 0 C--O 1.249 1.044 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.364 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -119.44 -7.85 10.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.574 1.178 . . . . 0.0 114.119 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -179.88 110.09 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.944 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.64 -177.07 3.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.01 0.909 . . . . 0.0 111.058 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -137.33 110.4 7.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.062 0.934 . . . . 0.0 111.233 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -164.87 76.84 0.3 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.777 0.799 . . . . 0.0 110.816 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 57' ' ' LYS . 8.5 pt-20 -84.81 -22.56 29.48 Favored 'General case' 0 C--O 1.254 1.306 0 O-C-N 121.789 -0.569 . . . . 0.0 112.396 -172.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 34.2 mtmt -149.93 172.34 15.34 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.792 -1.193 . . . . 0.0 111.494 -173.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.73 -23.66 18.84 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.475 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 94.8 m -45.89 -26.46 0.69 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.853 0.835 . . . . 0.0 110.245 173.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.976 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 35.4 m-85 -147.81 110.25 4.64 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.933 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -135.47 144.9 46.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.114 1.435 . . . . 0.0 113.47 -175.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -83.64 154.16 23.87 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.866 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.953 ' CD2' HG22 ' A' ' 67' ' ' THR . 93.2 m-85 -127.43 173.41 9.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.158 -0.964 . . . . 0.0 111.047 173.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -68.24 -54.38 18.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.983 0.897 . . . . 0.0 111.007 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -60.88 -14.5 22.57 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.05 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' HA2' HG21 ' A' ' 33' ' ' ILE . . . 99.86 27.54 7.85 Favored Glycine 0 C--O 1.248 1.02 0 O-C-N 121.047 -1.033 . . . . 0.0 111.874 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.953 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.51 167.51 12.53 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.074 -1.251 . . . . 0.0 110.751 172.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.699 HD23 HD12 ' A' ' 19' ' ' LEU . 13.4 tp -135.69 111.58 9.48 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.387 -0.821 . . . . 0.0 111.487 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.934 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -82.52 159.15 22.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.86 0.838 . . . . 0.0 110.714 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.757 HD11 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mt -135.27 117.56 21.76 Favored 'Isoleucine or valine' 0 C--O 1.259 1.594 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.106 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 59' ' ' THR . 7.8 tptm -91.17 136.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.26 101.38 0.01 OUTLIER 'General case' 0 C--O 1.252 1.234 0 C-N-CA 124.432 1.093 . . . . 0.0 113.02 172.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.108 HD21 HD11 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -134.85 -178.57 5.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.479 1.133 . . . . 0.0 111.496 -173.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.999 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.5 mttt -151.05 -142.75 0.12 Allowed 'General case' 0 C--O 1.245 0.827 0 C-N-CA 125.123 1.369 . . . . 0.0 109.688 170.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -75.08 -23.19 57.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 123.142 1.448 . . . . 0.0 110.823 165.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.09 -34.55 56.86 Favored 'General case' 0 C--O 1.271 2.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 113.413 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 1.049 ' CB ' ' HB2' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -70.17 -6.07 31.7 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 121.152 1.797 . . . . 0.0 110.279 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.435 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -58.87 132.91 55.36 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.718 1.247 . . . . 0.0 110.916 171.606 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.4 m-20 -151.26 179.33 8.41 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 122.568 1.175 . . . . 0.0 110.672 172.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.53 HG23 ' OD1' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -104.44 145.24 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 122.034 0.921 . . . . 0.0 110.189 173.193 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.976 ' HE2' ' CE1' ' A' ' 60' ' ' TYR . 6.7 m-85 -144.54 163.41 33.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.739 0.781 . . . . 0.0 110.377 -172.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.835 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -160.37 133.79 6.84 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.21 0.529 . . . . 0.0 110.285 172.711 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.926 HG12 ' CE1' ' A' ' 98' ' ' PHE . 7.8 p -102.9 121.49 54.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 122.236 1.017 . . . . 0.0 110.815 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -119.3 107.58 13.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.652 0.739 . . . . 0.0 110.269 174.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.942 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -116.81 119.52 62.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.974 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.378 -171.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.56 ' HD2' ' N ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -115.66 158.28 22.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 112.436 -169.597 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -76.4 -173.05 2.34 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 122.052 0.93 . . . . 0.0 111.104 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -26.7 65.65 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 121.603 -0.686 . . . . 0.0 111.895 -178.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -90.34 19.22 5.33 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 121.098 -1.001 . . . . 0.0 112.48 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.76 13.03 60.62 Favored Glycine 0 C--O 1.249 1.048 0 O-C-N 120.938 -1.101 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 120.13 31.09 Favored 'General case' 0 C--O 1.245 0.82 0 O-C-N 121.093 -1.239 . . . . 0.0 111.427 -174.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.56 ' N ' ' HD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -58.48 94.07 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.81 1.291 . . . . 0.0 110.695 173.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 85' ' ' ILE . 13.1 m -77.47 -26.87 15.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 122.425 1.107 . . . . 0.0 111.993 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 22' ' ' PRO . 53.9 tp -164.97 155.24 13.78 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.394 1.092 . . . . 0.0 110.852 173.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.84 159.33 40.47 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.598 -173.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.835 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -172.69 156.25 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.004 0.907 . . . . 0.0 110.897 -177.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.44 152.68 7.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.781 1.277 . . . . 0.0 111.645 -172.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 1.071 ' CE2' HD12 ' A' ' 7' ' ' LEU . 45.6 m-85 -135.63 166.83 22.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.343 1.068 . . . . 0.0 111.674 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 80' ' ' ILE . 1.9 m-20 -155.81 95.24 1.63 Allowed 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.673 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.751 ' CD1' HD21 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.75 146.55 7.83 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.945 0.878 . . . . 0.0 111.269 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -144.9 -177.71 5.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 123.55 1.643 . . . . 0.0 111.012 173.658 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 1.108 HD11 HD21 ' A' ' 73' ' ' LEU . 3.2 mt -151.45 160.12 3.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.828 170.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -137.83 140.31 40.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.001 0.905 . . . . 0.0 110.31 -172.315 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -159.42 84.41 0.77 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 124.056 1.884 . . . . 0.0 110.525 -172.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.269 2.121 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.286 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.522 ' H83' ' O2 ' ' A' ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . 0.522 ' O2 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt . . . . . 0 C--O 1.239 0.551 0 CA-C-O 121.939 0.876 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -77.34 165.99 23.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.842 0.83 . . . . 0.0 110.761 174.013 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' N ' ' HG3' ' A' ' 2' ' ' GLU . 2.7 tp -124.05 151.37 29.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.011 0.91 . . . . 0.0 111.161 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.5 p -121.41 175.37 6.2 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.406 1.098 . . . . 0.0 110.82 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -129.79 43.33 3.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.974 1.368 . . . . 0.0 110.362 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 172.08 7.05 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.413 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 4.5 tp -123.76 107.19 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.868 0.842 . . . . 0.0 110.943 -173.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -66.43 94.51 0.28 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.782 0.801 . . . . 0.0 110.913 174.26 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -90.95 172.82 8.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 110.483 173.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.485 ' CH2' ' HD3' ' A' ' 101' ' ' LYS . 93.3 m95 -160.59 148.77 16.33 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.808 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.591 ' HA3' HD12 ' A' ' 73' ' ' LEU . . . -159.97 116.52 0.72 Allowed Glycine 0 C--O 1.241 0.565 0 O-C-N 121.252 -0.905 . . . . 0.0 112.346 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.852 ' O ' ' HB2' ' A' ' 15' ' ' GLN . . . -61.96 144.94 54.32 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.621 -0.929 . . . . 0.0 110.581 173.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.745 HD12 ' CG2' ' A' ' 102' ' ' ILE . 4.2 mp -57.91 134.04 55.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.601 1.191 . . . . 0.0 111.025 -173.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.69 31.55 44.39 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.216 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.852 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.1 tm0? -116.32 159.19 22.27 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.086 -1.244 . . . . 0.0 110.456 -173.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.24 131.07 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.406 1.098 . . . . 0.0 109.948 173.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -135.77 177.93 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 123.1 1.429 . . . . 0.0 112.604 -170.755 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.64 ' O ' HD22 ' A' ' 19' ' ' LEU . 19.1 m-20 -117.73 177.88 4.6 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 123.343 1.544 . . . . 0.0 111.835 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.109 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 2.2 mm? -135.2 101.07 4.73 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 124.302 1.041 . . . . 0.0 109.268 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -94.57 110.22 22.05 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 123.313 1.53 . . . . 0.0 113.663 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.019 HD12 ' HD2' ' A' ' 22' ' ' PRO . 5.7 tp -72.87 154.77 90.99 Favored Pre-proline 0 C--O 1.246 0.902 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.121 170.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 1.019 ' HD2' HD12 ' A' ' 21' ' ' ILE . 10.0 Cg_endo -46.13 179.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.468 1 C-N-CA 127.241 5.294 . . . . 0.0 114.722 174.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.54 30.67 0.99 Allowed 'General case' 0 C--O 1.244 0.803 0 CA-C-N 114.838 -1.073 . . . . 0.0 112.224 -175.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -114.75 123.31 48.91 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 121.487 -0.758 . . . . 0.0 110.005 172.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -142.7 173.39 11.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.951 1.358 . . . . 0.0 112.113 -172.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.432 ' HA ' HG13 ' A' ' 30' ' ' ILE . 17.1 ptt? -66.53 174.69 2.65 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.887 -1.052 . . . . 0.0 111.221 -174.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -176.89 -61.14 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.962 1.363 . . . . 0.0 110.986 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -94.58 0.02 OUTLIER 'General case' 0 C--O 1.248 0.991 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.06 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.78 ' O ' HG23 ' A' ' 88' ' ' THR . 25.2 m-20 -122.37 27.83 7.72 Favored 'General case' 0 C--O 1.249 1.042 0 O-C-N 121.434 -0.791 . . . . 0.0 111.922 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.752 HD13 ' HB3' ' A' ' 87' ' ' ASP . 5.1 mm -71.95 122.32 24.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 O-C-N 121.213 -0.929 . . . . 0.0 110.252 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.69 -31.63 3.94 Favored 'General case' 0 C--O 1.257 1.481 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -171.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.44 142.1 32.37 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 120.756 -1.215 . . . . 0.0 111.311 -172.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.935 ' HA ' HG23 ' A' ' 85' ' ' ILE . 5.7 mt -148.85 104.25 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.876 -177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HG3' ' CD ' ' A' ' 46' ' ' GLN . 21.5 tttt -114.64 152.27 32.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.594 1.664 . . . . 0.0 111.999 -173.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 1.109 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.8 m95 -144.17 126.0 15.24 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.296 173.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -132.8 168.52 18.21 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.401 -0.812 . . . . 0.0 111.192 -171.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' NZ ' HG22 ' A' ' 44' ' ' ILE . 2.3 mtmm -83.22 117.66 23.09 Favored 'General case' 0 C--O 1.249 1.074 0 O-C-N 121.336 -0.853 . . . . 0.0 109.022 171.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.636 HG22 ' HB2' ' A' ' 82' ' ' LYS . 74.6 p -54.13 -44.79 71.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.989 0.9 . . . . 0.0 111.283 -170.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -61.19 -84.28 0.01 OUTLIER 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.754 0.788 . . . . 0.0 111.383 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.822 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.34 13.61 3.47 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 121.736 -0.602 . . . . 0.0 112.606 -174.029 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.822 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER 51.79 62.89 2.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.035 1.398 . . . . 0.0 110.186 173.451 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.0 tttt -119.38 102.39 8.64 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.199 1.475 . . . . 0.0 112.219 -173.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.796 ' HD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -44.8 130.38 7.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.998 1.38 . . . . 0.0 111.875 176.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.806 HD12 ' CD1' ' A' ' 60' ' ' TYR . 17.4 pt -127.3 -43.07 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 122.367 1.079 . . . . 0.0 110.828 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.871 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -139.65 127.24 21.7 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.311 175.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.766 ' HB3' ' HD3' ' A' ' 43' ' ' LYS . 4.3 tt0 -160.03 147.6 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.415 1.579 . . . . 0.0 113.218 -173.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.759 ' CD1' HG22 ' A' ' 53' ' ' THR . 1.9 m-30 -124.85 122.04 36.27 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 172.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HG2' ' HG2' ' A' ' 46' ' ' GLN . 4.7 ptm180 -158.07 113.22 2.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.812 0.815 . . . . 0.0 111.104 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.8 145.14 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.765 0.793 . . . . 0.0 110.61 -173.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.26 32.43 0.94 Allowed 'General case' 0 C--O 1.248 0.986 0 O-C-N 121.743 -0.598 . . . . 0.0 111.915 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -106.28 -7.84 17.59 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -176.77 135.82 0.23 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.944 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.759 HG22 ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -117.07 158.17 24.63 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.779 0.8 . . . . 0.0 110.926 178.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CD2' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -121.03 97.42 5.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.94 0.876 . . . . 0.0 111.145 177.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -162.86 56.25 0.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.195 0.998 . . . . 0.0 110.652 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.79 -31.29 62.49 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.545 -173.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.745 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER -151.55 157.28 42.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.064 0.935 . . . . 0.0 111.176 -174.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 4.7 m-20 -72.6 -4.76 32.76 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 176.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.745 HG22 ' HB3' ' A' ' 57' ' ' LYS . 10.3 t -60.68 -25.83 66.66 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.089 -1.007 . . . . 0.0 110.783 174.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.806 ' CD1' HD12 ' A' ' 44' ' ' ILE . 49.6 m-85 -150.07 80.77 1.37 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.634 0.731 . . . . 0.0 110.55 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -107.28 169.45 8.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.388 1.089 . . . . 0.0 112.74 -172.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.871 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -111.65 163.32 14.24 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 174.007 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.639 ' CD2' HG22 ' A' ' 67' ' ' THR . 13.3 m-30 -125.59 169.87 12.04 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 121.36 -0.837 . . . . 0.0 111.03 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -63.5 -28.81 70.21 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 121.379 -0.826 . . . . 0.0 111.612 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -96.84 11.54 35.41 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 121.405 -0.809 . . . . 0.0 112.341 -173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.37 6.95 73.43 Favored Glycine 0 C--O 1.253 1.322 0 O-C-N 120.799 -1.188 . . . . 0.0 112.891 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -88.03 149.18 24.14 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 119.049 1.424 . . . . 0.0 111.218 177.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -109.2 148.85 30.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.139 0.971 . . . . 0.0 110.509 172.331 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.45 134.07 55.27 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.554 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.595 HD12 HD11 ' A' ' 17' ' ' ILE . 1.8 mt -121.06 107.31 20.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.081 0.943 . . . . 0.0 110.606 173.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -82.42 142.46 31.93 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.407 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t60 61.25 110.23 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 123.279 1.514 . . . . 0.0 110.691 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.984 HD21 ' CD1' ' A' ' 100' ' ' LEU . 2.4 tm? -136.31 69.64 1.42 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.062 0.934 . . . . 0.0 112.711 -170.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.634 ' CE ' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -94.34 -171.66 2.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.153 0.978 . . . . 0.0 110.473 170.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.1 m -51.68 -26.87 10.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.28 1.038 . . . . 0.0 111.602 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.634 ' HB3' ' CE ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -76.26 -40.28 52.27 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.632 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.01 14.34 14.22 Favored 'General case' 0 C--O 1.253 1.24 0 O-C-N 121.31 -0.869 . . . . 0.0 112.129 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.825 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.38 126.31 34.79 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 120.822 -1.174 . . . . 0.0 111.245 173.462 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -157.6 160.53 38.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.841 -176.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.459 HG22 HG21 ' A' ' 38' ' ' THR . 22.8 mt -86.07 148.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.379 0.609 . . . . 0.0 110.063 173.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.656 ' HE1' ' HB3' ' A' ' 100' ' ' LEU . 96.8 m-85 -140.83 156.01 46.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.847 0.832 . . . . 0.0 111.349 -170.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.787 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 6.2 tttt -146.61 132.55 19.14 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.918 0.866 . . . . 0.0 110.666 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' A' ' 98' ' ' PHE . 4.6 p -104.1 119.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.16 0.981 . . . . 0.0 110.967 -173.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.496 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -124.23 109.89 13.97 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.868 0.842 . . . . 0.0 110.324 178.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.935 HG23 ' HA ' ' A' ' 33' ' ' ILE . 1.5 mt -120.33 118.62 57.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.341 0 O-C-N 121.925 -0.485 . . . . 0.0 110.129 -172.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.667 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 2.6 m-85 -114.88 168.81 9.58 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 120.512 -1.367 . . . . 0.0 112.524 -168.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.752 ' HB3' HD13 ' A' ' 30' ' ' ILE . 10.6 p30 -94.16 -174.61 3.43 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.192 0.996 . . . . 0.0 110.99 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 29' ' ' ASP . 74.8 p -57.87 -26.2 61.77 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 121.431 -0.793 . . . . 0.0 112.149 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -98.23 30.7 3.03 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.034 -1.041 . . . . 0.0 112.121 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.7 49.37 Favored Glycine 0 C--O 1.248 0.981 0 O-C-N 121.241 -0.912 . . . . 0.0 111.999 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 1.1 mtpt -90.33 126.87 36.01 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.16 -1.2 . . . . 0.0 111.48 -173.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.667 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 1.4 t30 -67.5 92.82 0.32 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.111 0.958 . . . . 0.0 110.839 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.722 HG21 HD12 ' A' ' 30' ' ' ILE . 15.1 m -78.18 -27.95 14.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.368 1.08 . . . . 0.0 112.352 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.614 HD21 ' HG2' ' A' ' 22' ' ' PRO . 28.3 tp -151.94 151.53 31.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.232 1.015 . . . . 0.0 110.999 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.546 ' H ' HD12 ' A' ' 94' ' ' LEU . 4.5 tm-20 -154.58 158.68 40.14 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.708 -174.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.787 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -166.48 160.35 15.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.044 0.926 . . . . 0.0 111.393 -178.665 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.405 ' O ' ' HD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -119.81 134.83 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.933 0.873 . . . . 0.0 110.808 -177.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.739 ' HD2' ' CZ3' ' A' ' 35' ' ' TRP . 21.7 m-30 -135.63 160.86 37.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.814 -172.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 9' ' ' THR . 4.5 m-20 -146.28 86.55 1.7 Allowed 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.318 -0.864 . . . . 0.0 111.878 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.984 ' CD1' HD21 ' A' ' 73' ' ' LEU . 1.5 tm? -61.17 108.19 0.86 Allowed 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.529 0.68 . . . . 0.0 110.793 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 99' ' ' ASP . 1.8 mtpm? -104.68 172.07 6.99 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 123.356 1.551 . . . . 0.0 112.12 -174.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.84 ' CD1' HD13 ' A' ' 73' ' ' LEU . 1.2 mm -128.83 151.51 35.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.019 171.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -141.64 147.07 36.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.937 0.875 . . . . 0.0 111.229 -172.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -146.36 52.98 1.12 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 124.758 2.218 . . . . 0.0 110.282 -176.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 . . . . . 0 C--O 1.269 2.118 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.193 175.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.419 ' O7 ' ' C3 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . 0.47 ' H4 ' ' C5 ' ' A' ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . 0.47 ' C5 ' ' H4 ' ' A' ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 121.969 0.89 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -111.03 151.6 27.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.944 0.878 . . . . 0.0 110.978 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 mt -108.07 148.26 12.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.901 0.858 . . . . 0.0 110.981 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 p -132.33 153.26 50.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.006 0.908 . . . . 0.0 110.952 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.32 48.6 0.9 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.955 0.883 . . . . 0.0 111.065 -175.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.97 169.9 16.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.062 0.934 . . . . 0.0 110.985 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.801 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 14.9 mt -125.46 112.96 16.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.31 1.052 . . . . 0.0 110.994 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.97 102.0 0.32 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.846 0.831 . . . . 0.0 111.019 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 1.035 HG21 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.91 122.29 45.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.516 0.674 . . . . 0.0 110.523 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.51 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 86.2 m95 -118.82 157.72 27.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.924 0.869 . . . . 0.0 112.174 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.2 -171.07 25.62 Favored Glycine 0 C--O 1.24 0.491 0 CA-C-O 122.299 0.944 . . . . 0.0 111.741 173.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.843 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -135.91 153.34 51.48 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 121.732 -0.864 . . . . 0.0 110.712 173.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.618 ' CD1' HG21 ' A' ' 102' ' ' ILE . 5.8 mp -62.1 135.72 57.64 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.124 1.44 . . . . 0.0 112.676 -171.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.19 43.23 Favored Glycine 0 C--O 1.238 0.364 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.843 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 15.1 tt0 -138.21 146.02 42.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.622 1.201 . . . . 0.0 112.088 -171.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -97.39 135.74 38.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.677 -175.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.463 HG12 ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -128.48 157.53 40.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.991 0.9 . . . . 0.0 111.336 -172.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -110.44 146.42 35.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.92 1.343 . . . . 0.0 111.703 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.035 ' CD1' HG21 ' A' ' 9' ' ' THR . 0.2 OUTLIER -100.1 96.96 7.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.434 172.598 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.93 117.96 31.62 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 123.609 1.671 . . . . 0.0 111.692 -169.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.994 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.84 154.05 92.9 Favored Pre-proline 0 C--O 1.239 0.541 0 CA-C-O 122.483 1.135 . . . . 0.0 112.123 177.016 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.994 ' HD2' HG12 ' A' ' 21' ' ' ILE . 13.8 Cg_exo -43.39 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.375 1 C-N-CA 127.699 5.6 . . . . 0.0 116.807 174.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.07 29.22 0.84 Allowed 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.896 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.606 ' HD2' HD13 ' A' ' 94' ' ' LEU . 2.4 t80 -116.27 123.43 47.69 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.625 -0.672 . . . . 0.0 110.083 171.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -135.32 144.37 46.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.42 1.105 . . . . 0.0 111.773 -172.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.472 ' CE ' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -86.51 166.34 15.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.998 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -124.77 -113.9 0.29 Allowed 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.325 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -90.11 23.34 2.87 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.855 -1.153 . . . . 0.0 111.861 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -108.13 -78.4 0.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.942 1.354 . . . . 0.0 110.939 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.75 HG23 ' O ' ' A' ' 86' ' ' TYR . 1.3 mp -49.08 144.01 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.705 -174.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.5 -31.7 3.22 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.381 -173.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.83 142.95 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.098 . . . . 0.0 111.224 -172.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.042 HG23 HD12 ' A' ' 85' ' ' ILE . 29.3 mt -139.78 104.1 1.88 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.882 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.022 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -110.83 153.77 24.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.236 1.493 . . . . 0.0 112.244 -173.01 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.946 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 49.7 m95 -155.24 131.4 10.21 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.423 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.799 ' C ' HD12 ' A' ' 44' ' ' ILE . 16.8 tt0 -124.5 170.71 10.62 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 111.088 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.929 ' HB3' HD11 ' A' ' 44' ' ' ILE . 14.3 ptmt -105.38 85.09 2.19 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.562 ' OG1' HG22 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -38.4 -37.21 0.28 Allowed 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.069 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 t -49.58 -68.4 0.18 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.991 -1.068 . . . . 0.0 111.412 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -92.79 3.49 55.55 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.659 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 7.8 ttmt 54.26 62.11 2.73 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.627 -1.295 . . . . 0.0 110.405 -177.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.705 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -129.83 121.53 26.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 123.545 1.64 . . . . 0.0 113.879 -172.468 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -42.62 97.29 0.01 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.919 1.342 . . . . 0.0 111.547 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.929 HD11 ' HB3' ' A' ' 37' ' ' LYS . 5.1 mt -82.62 -41.35 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 123.053 1.406 . . . . 0.0 110.899 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.736 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -171.27 134.38 0.9 Allowed 'General case' 0 C--O 1.253 1.248 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.358 -172.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.543 ' N ' HD21 ' A' ' 62' ' ' LEU . 7.3 tt0 -159.77 142.49 13.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.742 1.258 . . . . 0.0 112.29 -173.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 114.33 17.92 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.709 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.78 101.59 3.07 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.858 0.837 . . . . 0.0 111.116 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.46 147.38 0.06 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.071 0.939 . . . . 0.0 110.724 -176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.2 34.43 0.87 Allowed 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.783 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.87 -7.39 13.76 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 172.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 171.72 129.34 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.723 178.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 p -147.5 174.28 11.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.046 0.927 . . . . 0.0 111.079 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -123.13 109.66 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.874 0.845 . . . . 0.0 111.016 -177.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.68 40.87 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.647 0.737 . . . . 0.0 110.919 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.84 24.4 2.06 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.782 -0.574 . . . . 0.0 112.345 -172.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.24 151.72 5.8 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 120.933 -1.105 . . . . 0.0 111.591 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.39 -15.67 39.66 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 174.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.0 m -50.6 -20.68 1.26 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.951 -0.468 . . . . 0.0 110.204 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.847 ' HD1' ' CG2' ' A' ' 70' ' ' ILE . 40.7 m-85 -150.5 85.22 1.37 Allowed 'General case' 0 C--O 1.245 0.822 0 CA-C-O 121.262 0.553 . . . . 0.0 109.787 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -93.17 168.74 10.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.277 1.037 . . . . 0.0 113.408 -170.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.95 ' CD1' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -122.3 143.75 49.42 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.812 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.597 ' HE2' ' HB2' ' A' ' 69' ' ' LYS . 96.8 m-85 -125.37 154.82 41.28 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.356 -0.84 . . . . 0.0 110.817 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -13.35 62.32 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 121.622 -0.674 . . . . 0.0 111.839 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.5 p30 -96.73 26.72 4.33 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.057 -1.027 . . . . 0.0 111.96 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' HA3' HG21 ' A' ' 21' ' ' ILE . . . 77.07 7.02 86.63 Favored Glycine 0 C--O 1.254 1.395 0 O-C-N 121.091 -1.006 . . . . 0.0 113.267 173.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.449 HG22 ' CD2' ' A' ' 63' ' ' PHE . 3.3 m -88.76 161.53 16.73 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-N 119.133 1.466 . . . . 0.0 111.057 -176.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -138.23 114.67 10.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.5 1.143 . . . . 0.0 112.076 173.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.597 ' HB2' ' HE2' ' A' ' 63' ' ' PHE . 2.5 tttm -96.83 102.98 14.86 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.279 -0.888 . . . . 0.0 111.354 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -108.72 115.17 48.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 123.641 1.686 . . . . 0.0 110.654 -171.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -76.32 148.97 37.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.008 -171.217 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.8 t60 61.06 105.9 0.02 OUTLIER 'General case' 0 C--O 1.242 0.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.016 173.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.875 ' CD1' HD23 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -145.41 101.05 3.54 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -174.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.48 -171.21 1.79 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 126.818 2.047 . . . . 0.0 110.286 166.229 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.465 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.9 m -46.6 -29.95 2.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.345 1.069 . . . . 0.0 112.409 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -86.74 -33.12 20.08 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.149 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.78 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -99.55 23.03 9.98 Favored 'General case' 0 C--O 1.249 1.046 0 O-C-N 121.978 -0.451 . . . . 0.0 111.607 173.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.556 ' HB2' HD11 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -104.65 125.8 51.11 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.086 -1.009 . . . . 0.0 110.713 172.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -145.46 172.08 13.72 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.229 1.014 . . . . 0.0 111.59 -173.345 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.562 HG22 ' OG1' ' A' ' 38' ' ' THR . 4.1 mt -91.84 148.6 4.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.201 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.818 ' CD2' HD13 ' A' ' 44' ' ' ILE . 17.0 m-85 -143.92 163.22 34.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.898 0.856 . . . . 0.0 111.08 -171.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 8.5 ttpp -154.52 143.95 21.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.844 0.83 . . . . 0.0 110.663 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.94 HG12 ' HE1' ' A' ' 98' ' ' PHE . 7.3 p -114.95 123.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.279 1.037 . . . . 0.0 111.29 -173.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.413 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 85.5 p -125.55 103.72 8.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.83 0.824 . . . . 0.0 110.572 174.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.042 HD12 HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -112.66 116.25 52.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 122.215 1.007 . . . . 0.0 110.174 -173.283 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 30' ' ' ILE . 10.9 m-30 -107.05 164.11 12.42 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.588 1.185 . . . . 0.0 112.675 -169.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.83 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 15.6 p-10 -96.5 -173.89 2.89 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.738 1.256 . . . . 0.0 111.116 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.9 p -64.35 -30.28 71.33 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.868 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -83.24 8.61 12.82 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.213 -0.929 . . . . 0.0 112.394 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.25 19.47 79.81 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.797 -1.189 . . . . 0.0 112.54 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.83 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 2.7 mtpt -90.43 151.39 21.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.061 -1.258 . . . . 0.0 111.395 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 m120 -89.05 93.43 9.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.957 0.884 . . . . 0.0 110.707 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 85' ' ' ILE . 2.6 m -80.19 -20.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.606 HD13 ' HD2' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -162.53 145.49 11.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.155 0.979 . . . . 0.0 111.247 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -148.06 141.87 25.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.857 0.837 . . . . 0.0 110.91 -178.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -153.38 159.82 42.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.898 0.856 . . . . 0.0 111.031 -174.006 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.06 137.81 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.877 0.846 . . . . 0.0 110.869 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.94 ' HE1' HG12 ' A' ' 83' ' ' VAL . 19.8 m-85 -131.56 170.27 14.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.755 0.788 . . . . 0.0 111.142 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -158.8 100.49 1.6 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.217 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 70' ' ' ILE . 2.5 mp -54.43 145.88 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.377 -0.827 . . . . 0.0 110.746 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.43 163.97 29.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.464 1.126 . . . . 0.0 111.55 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.618 HG21 ' CD1' ' A' ' 13' ' ' LEU . 28.7 mm -115.43 144.22 23.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.84 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.51 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 7.7 tp60 -136.55 145.25 44.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.018 0.913 . . . . 0.0 111.453 -171.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' HG2' ' C ' ' A' ' 103' ' ' GLN . 1.9 pt-20 -176.12 93.24 0.05 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.92 1.343 . . . . 0.0 110.976 -174.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.27 2.157 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.868 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . 0.469 ' H61' ' C7 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.469 ' C7 ' ' H61' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 121.992 0.901 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.78 170.65 16.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.942 0.877 . . . . 0.0 111.014 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.73 110.89 28.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.974 0.892 . . . . 0.0 110.958 177.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.8 p -150.41 150.29 31.17 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.562 0.696 . . . . 0.0 110.859 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.879 ' HB3' HD12 ' A' ' 97' ' ' ILE . 1.2 m120 -159.02 53.59 0.4 Allowed 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.58 0.705 . . . . 0.0 111.634 -178.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 5' ' ' ASN . . . 179.95 175.31 0.81 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.071 1.415 . . . . 0.0 111.77 173.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.052 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 5.7 mt -140.52 119.75 12.93 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.694 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 91.11 0.08 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.972 0.891 . . . . 0.0 110.881 -176.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.7 135.89 53.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.527 0.68 . . . . 0.0 110.596 -174.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 103' ' ' GLN . 93.0 m95 -140.64 159.3 42.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.976 0.893 . . . . 0.0 111.508 -172.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.41 170.31 36.38 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.817 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -100.16 158.46 15.84 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 121.957 -0.731 . . . . 0.0 110.458 173.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.055 HD12 HG21 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -68.88 132.13 46.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.802 1.286 . . . . 0.0 110.973 -173.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.07 35.3 34.97 Favored Glycine 0 C--O 1.249 1.083 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.016 -176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.817 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -128.91 152.03 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.239 -1.154 . . . . 0.0 110.842 -172.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.538 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -101.46 135.35 43.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.388 1.09 . . . . 0.0 110.636 176.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.612 ' CG2' HD21 ' A' ' 100' ' ' LEU . 8.2 tp -140.82 157.56 23.35 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 -173.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.761 ' O ' HD12 ' A' ' 19' ' ' LEU . 32.5 m120 -108.03 171.86 7.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.222 1.487 . . . . 0.0 111.949 -173.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.13 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 6.5 mp -127.02 117.12 21.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.302 1.048 . . . . 0.0 110.1 175.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.8 114.3 21.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.815 0.817 . . . . 0.0 109.67 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.038 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -96.24 -76.82 0.03 OUTLIER Pre-proline 0 C--O 1.259 1.56 0 N-CA-C 114.195 1.184 . . . . 0.0 114.195 -169.167 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 1.038 ' HD3' HG23 ' A' ' 21' ' ' ILE . 11.2 Cg_endo -87.43 157.82 8.01 Favored 'Trans proline' 0 N--CA 1.533 3.822 1 C-N-CA 126.762 4.975 . . . . 0.0 117.242 -172.427 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -92.15 23.92 3.57 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -115.39 155.53 27.22 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.412 -0.805 . . . . 0.0 110.62 -172.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -123.69 91.99 3.59 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.272 1.034 . . . . 0.0 110.838 176.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 30' ' ' ILE . 7.3 ptt? -60.39 171.74 1.01 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.919 0.866 . . . . 0.0 111.269 -173.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 t -146.18 -123.48 0.07 Allowed 'General case' 0 C--O 1.253 1.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.523 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.7 32.43 0.98 Allowed 'General case' 0 C--O 1.26 1.617 0 O-C-N 120.698 -1.251 . . . . 0.0 112.319 -171.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -115.36 -39.64 3.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.336 -1.478 . . . . 0.0 113.185 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.445 HD12 ' SD ' ' A' ' 26' ' ' MET . 0.2 OUTLIER -87.59 140.79 15.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.273 -173.031 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.47 -30.69 4.49 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.971 -173.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -126.16 155.42 41.76 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.361 1.077 . . . . 0.0 111.213 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.913 HG23 ' CG2' ' A' ' 85' ' ' ILE . 2.2 mt -137.29 160.92 35.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.801 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.665 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -156.24 147.72 22.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 123.248 1.499 . . . . 0.0 112.125 173.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 1.13 ' CZ3' HD23 ' A' ' 19' ' ' LEU . 30.0 m95 -139.85 112.22 7.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.132 173.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -94.62 153.42 17.85 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.471 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.608 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 17.4 tttt -98.37 86.78 3.7 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.789 -0.569 . . . . 0.0 110.073 -176.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.638 ' OG1' HG22 ' A' ' 80' ' ' ILE . 23.5 p -66.45 95.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 123.904 1.811 . . . . 0.0 110.861 -171.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 p 179.22 -57.11 0.01 OUTLIER 'General case' 0 C--O 1.237 0.441 0 CA-C-O 123.747 1.737 . . . . 0.0 109.96 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -6.52 19.45 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.269 169.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 60.78 69.72 0.66 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.603 1.192 . . . . 0.0 111.308 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.58 154.37 5.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 124.054 1.883 . . . . 0.0 112.1 172.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.581 ' HB2' ' HE2' ' A' ' 54' ' ' PHE . 8.6 mttt -44.69 146.58 0.73 Allowed 'General case' 0 C--O 1.237 0.443 0 CA-C-O 123.552 1.644 . . . . 0.0 112.949 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.608 ' CG2' ' HB2' ' A' ' 37' ' ' LYS . 12.7 pt -135.32 -42.93 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.38 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.773 ' CB ' HD21 ' A' ' 62' ' ' LEU . . . -132.17 139.76 48.49 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.541 173.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.665 ' HG3' ' CG ' ' A' ' 34' ' ' LYS . 12.3 tt0 -165.6 150.37 8.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 123.029 1.395 . . . . 0.0 112.407 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 1.012 ' HD1' HD12 ' A' ' 62' ' ' LEU . 3.8 m-85 -126.85 129.56 48.5 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.562 173.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -147.95 102.68 3.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.421 -0.799 . . . . 0.0 111.081 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.1 mttm 63.5 152.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.613 1.673 . . . . 0.0 110.511 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -87.54 37.65 0.79 Allowed 'General case' 0 C--O 1.25 1.097 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.287 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.89 -7.86 13.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.664 1.221 . . . . 0.0 113.959 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.58 149.58 1.28 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.923 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 p -125.54 160.21 30.12 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.353 0.597 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.581 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 1.7 t80 -121.97 87.25 2.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.954 0.883 . . . . 0.0 111.69 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 107.33 0.82 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.245 1.498 . . . . 0.0 110.086 172.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.19 -31.91 62.85 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 121.262 -0.898 . . . . 0.0 111.292 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -159.83 164.67 33.46 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.33 0.586 . . . . 0.0 110.755 -177.114 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' HA ' ' HB3' ' A' ' 61' ' ' LYS . 2.8 m-20 -72.96 -6.93 48.61 Favored 'General case' 0 C--O 1.255 1.348 0 O-C-N 121.613 -0.68 . . . . 0.0 112.491 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.772 HG22 ' HG3' ' A' ' 57' ' ' LYS . 9.2 t -55.43 -26.78 43.88 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.365 -0.834 . . . . 0.0 110.315 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.683 ' CE1' HG23 ' A' ' 70' ' ' ILE . 5.0 m-85 -148.61 86.15 1.52 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.619 0.723 . . . . 0.0 111.058 173.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.9 ptmt -129.2 167.55 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.305 1.05 . . . . 0.0 112.212 -176.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.012 HD12 ' HD1' ' A' ' 47' ' ' PHE . 4.7 mt -104.39 175.25 5.55 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.672 0.789 . . . . 0.0 111.064 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 67' ' ' THR . 65.6 m-85 -130.64 174.98 9.4 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.913 -1.117 . . . . 0.0 111.391 174.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -23.17 64.17 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 121.693 -0.629 . . . . 0.0 111.75 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -102.12 20.58 16.4 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.175 -0.953 . . . . 0.0 112.019 -175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -7.15 82.3 Favored Glycine 0 C--O 1.253 1.338 0 O-C-N 120.919 -1.113 . . . . 0.0 113.273 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.677 HG22 ' CD2' ' A' ' 63' ' ' PHE . 5.1 m -83.47 153.59 24.37 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.708 -1.466 . . . . 0.0 111.366 -173.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.957 HD23 HD22 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -118.79 132.56 56.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.853 0.835 . . . . 0.0 110.658 172.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.0 ttpt -100.79 134.84 43.17 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.456 0.646 . . . . 0.0 110.834 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.683 HG23 ' CE1' ' A' ' 60' ' ' TYR . 2.0 mt -119.06 108.58 24.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.884 0.849 . . . . 0.0 110.864 173.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.1 mtpt -86.46 143.35 27.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.747 0.784 . . . . 0.0 111.121 -176.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 60.68 104.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 123.079 1.419 . . . . 0.0 111.159 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.732 ' CD1' HD11 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -138.98 83.4 1.95 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.221 1.01 . . . . 0.0 112.21 -173.039 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -97.26 -163.59 1.06 Allowed 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.274 170.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 m -57.6 -28.1 63.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.217 1.008 . . . . 0.0 112.349 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -41.73 14.05 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.532 ' O ' HD22 ' A' ' 73' ' ' LEU . 1.3 m-20 -79.89 -0.28 34.22 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 121.477 -0.765 . . . . 0.0 112.052 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -83.19 129.14 34.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 120.799 -1.188 . . . . 0.0 110.728 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 100' ' ' LEU . 68.0 m-20 -149.9 178.74 8.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.438 1.113 . . . . 0.0 111.21 -173.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.638 HG22 ' OG1' ' A' ' 38' ' ' THR . 5.1 mt -103.02 145.91 11.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.547 172.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -139.07 172.91 12.14 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.759 1.266 . . . . 0.0 111.44 -171.325 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.509 ' HG2' ' N ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -156.47 151.1 25.76 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.616 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.945 HG11 ' HB ' ' A' ' 21' ' ' ILE . 6.9 p -124.28 120.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 122.124 0.964 . . . . 0.0 110.879 -174.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 p -129.54 113.78 15.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.706 0.765 . . . . 0.0 110.407 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.913 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.6 mt -123.82 126.15 72.22 Favored 'Isoleucine or valine' 0 C--O 1.257 1.493 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.932 -173.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.532 ' CD2' ' HA ' ' A' ' 92' ' ' ASN . 0.3 OUTLIER -121.24 163.26 18.83 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.472 -1.392 . . . . 0.0 112.468 -168.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.3 p30 -87.68 -173.54 4.37 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 122.294 1.045 . . . . 0.0 110.995 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -26.74 46.36 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.288 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -96.29 24.36 5.82 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 120.962 -1.086 . . . . 0.0 112.661 -172.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.31 52.96 Favored Glycine 0 C--O 1.248 1.021 0 O-C-N 121.085 -1.009 . . . . 0.0 112.149 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.493 ' O ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.53 121.1 32.18 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 121.119 -1.224 . . . . 0.0 111.511 -174.079 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 34.6 t-20 -63.3 91.12 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.038 0.923 . . . . 0.0 110.482 173.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 91' ' ' LYS . 3.8 m -80.26 -22.45 11.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.879 0.847 . . . . 0.0 112.754 -173.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.935 HD21 ' HB3' ' A' ' 22' ' ' PRO . 2.5 tp -165.17 141.44 5.57 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.155 0.979 . . . . 0.0 110.702 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.052 0.93 . . . . 0.0 111.071 -172.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 168.24 1.56 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.494 0.664 . . . . 0.0 110.835 173.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.879 HD12 ' HB3' ' A' ' 5' ' ' ASN . 7.2 mt -121.02 151.86 24.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 CA-C-O 121.628 0.728 . . . . 0.0 111.058 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 1.052 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 11.7 m-85 -135.68 166.27 23.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.821 0.819 . . . . 0.0 111.762 -174.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.484 ' OD1' ' HB1' ' A' ' 6' ' ' ALA . 2.9 m-20 -149.61 87.32 1.5 Allowed 'General case' 0 C--O 1.247 0.966 0 O-C-N 121.908 -0.495 . . . . 0.0 110.933 173.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.717 ' CD1' HD21 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -63.8 130.51 44.45 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.371 -0.83 . . . . 0.0 110.799 -177.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.556 ' N ' HD13 ' A' ' 100' ' ' LEU . 7.9 mttt -128.95 169.73 14.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 123.079 1.419 . . . . 0.0 112.137 -173.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 1.055 HG21 HD12 ' A' ' 13' ' ' LEU . 1.5 mm -122.11 150.18 25.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.759 170.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.5 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 10.7 tt0 -145.07 142.06 29.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.025 0.917 . . . . 0.0 111.045 -172.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.97 86.21 0.54 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.673 1.225 . . . . 0.0 110.745 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.149 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.986 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . 0.582 ' H62' ' H82' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.582 ' H82' ' H62' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . 0.571 ' O2 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.457 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.99 0.9 . . . . 0.0 110.96 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.4 133.68 49.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.788 0.804 . . . . 0.0 110.982 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.68 101.53 12.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.266 1.031 . . . . 0.0 111.039 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 p -112.31 176.09 5.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.379 1.085 . . . . 0.0 110.766 173.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.512 HD22 HD12 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -135.24 43.56 2.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.918 1.342 . . . . 0.0 110.77 175.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.71 172.08 19.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 123.381 1.562 . . . . 0.0 112.765 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.063 HD23 ' CD2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -117.93 111.37 18.9 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.773 -176.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.25 93.97 5.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.318 1.056 . . . . 0.0 110.654 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.773 HG22 ' HA ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -101.21 148.8 24.68 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.447 -173.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -139.43 152.52 47.11 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 121.71 -0.619 . . . . 0.0 111.016 -173.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.42 -176.49 32.57 Favored Glycine 0 C--O 1.239 0.462 0 CA-C-O 122.805 1.225 . . . . 0.0 112.243 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' C ' HD13 ' A' ' 102' ' ' ILE . . . -110.88 163.3 13.94 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.676 -0.897 . . . . 0.0 110.57 172.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.877 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.5 mp -77.31 136.96 38.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.928 1.347 . . . . 0.0 111.962 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.93 43.29 Favored Glycine 0 C--O 1.245 0.79 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.544 -175.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.893 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -135.86 129.28 32.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.334 1.064 . . . . 0.0 110.943 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.461 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -78.72 134.73 37.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.261 1.029 . . . . 0.0 110.798 -172.289 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.582 HD13 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -131.02 144.41 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.045 0.926 . . . . 0.0 111.599 -172.235 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.843 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -97.19 -174.23 2.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.696 1.236 . . . . 0.0 111.587 -173.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.107 HD12 ' HD2' ' A' ' 98' ' ' PHE . 1.2 mm? -151.53 78.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.706 -173.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.29 101.87 14.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.604 1.193 . . . . 0.0 110.308 -176.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.014 HG23 ' CD ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -77.28 -80.71 0.04 OUTLIER Pre-proline 0 C--O 1.259 1.554 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.92 -171.153 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 1.014 ' CD ' HG23 ' A' ' 21' ' ' ILE . 10.9 Cg_endo -90.74 161.01 4.18 Favored 'Trans proline' 0 N--CA 1.531 3.687 1 C-N-CA 126.979 5.119 . . . . 0.0 116.721 -172.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -92.07 23.75 3.61 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.712 169.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -94.16 176.21 6.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.335 1.064 . . . . 0.0 111.379 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -140.49 81.89 1.83 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.038 0.923 . . . . 0.0 110.84 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.26 156.62 3.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.0 0.905 . . . . 0.0 111.151 -173.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 t -141.65 -121.63 0.1 Allowed 'General case' 0 C--O 1.254 1.293 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.253 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -21.52 24.45 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 120.747 -1.221 . . . . 0.0 111.989 -173.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 88' ' ' THR . 3.7 m-20 -80.64 -26.9 37.41 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.0 -1.062 . . . . 0.0 113.184 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 93' ' ' VAL . 3.0 mm -88.56 136.99 22.04 Favored 'Isoleucine or valine' 0 C--O 1.248 0.982 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.855 -174.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -133.28 -40.77 0.9 Allowed 'General case' 0 C--O 1.258 1.508 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.641 ' C ' HD12 ' A' ' 33' ' ' ILE . 72.2 m-20 -107.71 138.2 44.37 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 120.481 -1.387 . . . . 0.0 112.35 -171.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.918 ' HA ' HG23 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -120.19 158.63 22.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.027 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 172.746 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -155.15 146.06 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.316 1.532 . . . . 0.0 112.253 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.899 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 54.4 m95 -146.47 126.2 13.45 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.342 173.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.88 165.66 21.58 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.549 -0.72 . . . . 0.0 110.968 -173.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -88.34 99.67 12.42 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.467 -0.771 . . . . 0.0 109.548 172.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 1.005 HG21 HG22 ' A' ' 80' ' ' ILE . 1.2 p -35.61 -50.75 0.62 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -62.68 -73.87 0.1 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.616 0.722 . . . . 0.0 112.077 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -88.76 18.89 4.35 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -172.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 51.3 63.37 2.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.165 1.46 . . . . 0.0 110.121 172.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.515 ' O ' HG23 ' A' ' 44' ' ' ILE . 4.8 ttmt -118.54 88.87 3.01 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 123.061 1.41 . . . . 0.0 111.813 -172.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.539 ' HB2' ' CD ' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -45.27 102.22 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 173.568 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -93.16 -39.5 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 122.181 0.991 . . . . 0.0 110.962 179.054 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.744 ' HB1' ' CD2' ' A' ' 62' ' ' LEU . . . -144.73 132.85 21.56 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.729 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.539 ' CD ' ' HB2' ' A' ' 43' ' ' LYS . 2.6 mt-30 -158.3 151.92 23.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.886 1.327 . . . . 0.0 112.217 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.487 ' CD1' HG22 ' A' ' 53' ' ' THR . 1.2 m-30 -130.38 108.13 9.76 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.681 173.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -129.96 101.67 5.95 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.609 -0.682 . . . . 0.0 111.121 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.41 153.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.563 1.649 . . . . 0.0 110.47 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.61 40.02 0.87 Allowed 'General case' 0 C--O 1.25 1.093 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.347 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -116.45 -6.99 11.72 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.496 1.141 . . . . 0.0 114.028 172.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 6.6 tt0 176.99 119.43 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.989 -176.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.487 HG22 ' CD1' ' A' ' 47' ' ' PHE . 3.3 p -108.72 174.39 5.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.725 0.774 . . . . 0.0 111.001 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HE2' ' O ' ' A' ' 43' ' ' LYS . 3.7 t80 -135.95 99.78 4.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.962 0.887 . . . . 0.0 111.38 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -155.39 68.83 0.68 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.072 0.939 . . . . 0.0 110.484 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -3.62 31.05 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.518 -172.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.637 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -156.77 146.07 20.44 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 120.822 -1.174 . . . . 0.0 111.34 177.305 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -68.07 -24.74 65.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.481 0.658 . . . . 0.0 112.707 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.1 t -49.85 -22.77 1.58 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.705 0.764 . . . . 0.0 110.745 177.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.691 ' CE1' ' HE2' ' A' ' 81' ' ' TYR . 2.5 m-30 -147.91 78.08 1.43 Allowed 'General case' 0 C--O 1.244 0.763 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 172.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -104.77 152.64 22.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.885 0.85 . . . . 0.0 111.875 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.744 ' CD2' ' HB1' ' A' ' 45' ' ' ALA . 4.4 mt -92.93 -177.09 4.4 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.784 0.802 . . . . 0.0 111.119 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.712 ' CD1' HG22 ' A' ' 67' ' ' THR . 2.6 m-85 -144.2 167.33 22.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.915 0.864 . . . . 0.0 110.804 173.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -68.47 -31.56 70.94 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.654 0.74 . . . . 0.0 111.271 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -89.55 11.26 20.08 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.679 -0.638 . . . . 0.0 112.247 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.58 63.87 Favored Glycine 0 C--O 1.252 1.231 0 O-C-N 120.791 -1.193 . . . . 0.0 113.18 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.712 HG22 ' CD1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -89.97 157.68 17.73 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 119.433 1.617 . . . . 0.0 111.201 -176.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.2 tp -126.42 152.39 46.43 Favored 'General case' 0 C--O 1.243 0.755 0 O-C-N 121.581 -0.7 . . . . 0.0 110.415 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.706 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -132.04 157.63 43.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.945 0.879 . . . . 0.0 111.024 176.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.896 HG22 HD21 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -134.86 113.75 16.65 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 110.886 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 21.4 tttm -85.31 137.61 32.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.615 0.721 . . . . 0.0 111.887 -173.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.599 ' O ' HD22 ' A' ' 73' ' ' LEU . 18.7 t60 59.91 97.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.475 1.607 . . . . 0.0 110.316 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.896 HD21 HG22 ' A' ' 70' ' ' ILE . 1.9 mm? -130.97 83.75 2.14 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -168.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.11 -175.48 4.82 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 120.856 -1.153 . . . . 0.0 110.459 167.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.1 m -61.29 -25.72 67.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.281 1.039 . . . . 0.0 112.179 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -37.0 51.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.053 0.93 . . . . 0.0 110.892 173.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.54 ' CB ' ' HA ' ' A' ' 73' ' ' LEU . 5.1 m-20 -74.19 -1.34 19.99 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.654 173.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.848 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -82.4 129.73 34.95 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 120.76 -1.212 . . . . 0.0 111.086 172.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.94 170.79 16.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.316 1.055 . . . . 0.0 111.337 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.005 HG22 HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER -90.18 139.14 18.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.601 173.535 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.983 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 25.5 m-85 -134.04 161.52 34.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.42 1.105 . . . . 0.0 110.911 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -146.5 136.18 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.796 0.807 . . . . 0.0 110.656 174.319 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.022 HG22 HD11 ' A' ' 85' ' ' ILE . 7.7 p -112.37 117.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 122.68 1.228 . . . . 0.0 111.086 -173.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.478 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 62.5 p -122.33 121.12 35.98 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.259 174.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.022 HD11 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -131.01 114.34 26.62 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 121.95 -0.469 . . . . 0.0 109.929 -172.692 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 5.4 m-30 -110.8 156.69 20.74 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.682 -1.261 . . . . 0.0 112.415 -167.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.698 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.9 p30 -81.33 -175.54 5.52 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 122.051 0.929 . . . . 0.0 111.176 174.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASP . 71.2 p -56.93 -32.31 65.83 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 121.629 -0.669 . . . . 0.0 112.21 -173.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -94.98 30.66 2.05 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.189 -0.944 . . . . 0.0 112.388 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.86 19.79 59.09 Favored Glycine 0 C--O 1.246 0.858 0 O-C-N 121.227 -0.921 . . . . 0.0 112.401 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 136.87 32.78 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.443 -1.034 . . . . 0.0 111.316 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.7 p30 -74.36 92.23 2.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.17 0.986 . . . . 0.0 110.786 173.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.706 HG21 HD11 ' A' ' 30' ' ' ILE . 1.9 m -77.27 -16.59 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.726 -178.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.549 HD21 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -179.64 149.04 0.36 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.821 0.82 . . . . 0.0 110.977 176.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.78 170.05 23.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.78 0.8 . . . . 0.0 110.995 -173.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.625 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -175.07 168.56 3.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.037 0.923 . . . . 0.0 111.084 179.149 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.512 HD12 HD22 ' A' ' 5' ' ' ASN . 0.0 OUTLIER -123.69 114.93 43.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-O 121.312 0.577 . . . . 0.0 110.979 -173.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 1.107 ' HD2' HD12 ' A' ' 19' ' ' LEU . 5.3 m-30 -111.75 173.21 6.46 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 120.979 -1.076 . . . . 0.0 112.039 -171.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.45 ' OD1' HG12 ' A' ' 80' ' ' ILE . 13.6 t0 -162.96 108.66 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.027 0.918 . . . . 0.0 110.965 -172.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.983 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -76.98 125.54 29.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.584 0.707 . . . . 0.0 110.86 -178.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 161.81 19.97 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 124.297 1.999 . . . . 0.0 113.77 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -124.95 158.93 32.3 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.61 169.143 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.1 157.93 45.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 123.113 1.435 . . . . 0.0 112.713 -171.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -171.78 86.19 0.08 Allowed 'General case' 0 C--O 1.238 0.455 0 CA-C-O 123.12 1.438 . . . . 0.0 110.811 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 . . . . . 0 C--O 1.27 2.18 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.266 -173.612 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.424 ' O7 ' ' C3 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 1' ' ' LYS . 1.5 pttp . . . . . 0 C--O 1.24 0.591 0 CA-C-O 121.934 0.873 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.46 167.96 28.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.902 0.858 . . . . 0.0 110.966 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.26 167.9 5.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.887 0.851 . . . . 0.0 110.955 -174.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.4 p -140.77 176.22 8.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.735 1.255 . . . . 0.0 111.232 -173.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -131.05 44.72 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 123.047 1.403 . . . . 0.0 110.493 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.74 171.91 7.72 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.963 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.886 HD12 ' CE1' ' A' ' 98' ' ' PHE . 26.1 mt -124.62 108.25 11.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.177 0.989 . . . . 0.0 111.389 -173.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.73 107.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.86 0.838 . . . . 0.0 111.03 -175.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.4 137.63 50.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.628 0.728 . . . . 0.0 110.721 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -136.73 142.51 43.06 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 121.454 0.645 . . . . 0.0 111.306 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.636 ' HA3' HD12 ' A' ' 73' ' ' LEU . . . -160.44 132.05 2.82 Favored Glycine 0 C--O 1.243 0.7 0 O-C-N 121.251 -0.905 . . . . 0.0 111.78 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.48 155.28 29.71 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 121.456 -1.026 . . . . 0.0 110.512 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HG21 ' A' ' 102' ' ' ILE . 6.1 mp -62.28 135.71 57.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.739 1.257 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.93 34.73 33.11 Favored Glycine 0 C--O 1.241 0.543 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.518 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.697 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -131.54 116.04 16.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.133 0.968 . . . . 0.0 110.825 -172.361 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -78.5 132.93 37.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.517 1.151 . . . . 0.0 110.889 -173.247 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.708 ' CD1' HD13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -125.8 175.96 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 122.792 1.282 . . . . 0.0 112.177 -171.149 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.424 ' N ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -129.1 126.25 38.95 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.974 173.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.897 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.4 OUTLIER -79.72 102.3 8.92 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.845 0.831 . . . . 0.0 110.142 172.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.39 -155.98 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.952 0.882 . . . . 0.0 111.028 -171.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.989 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -164.0 151.26 10.41 Favored Pre-proline 0 C--O 1.242 0.707 0 CA-C-O 121.424 0.631 . . . . 0.0 110.766 -172.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.989 ' HD2' HG12 ' A' ' 21' ' ' ILE . 22.8 Cg_exo -43.93 177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.633 4.889 . . . . 0.0 115.491 176.236 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.32 31.84 0.98 Allowed 'General case' 0 C--O 1.246 0.903 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.68 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.82 149.63 23.65 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 121.379 -0.825 . . . . 0.0 110.75 173.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -134.07 119.74 19.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.865 0.84 . . . . 0.0 111.187 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.42 170.35 1.02 Allowed 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.493 0.663 . . . . 0.0 110.919 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -131.37 -125.93 0.2 Allowed 'General case' 0 C--O 1.254 1.314 0 O-C-N 121.546 -0.722 . . . . 0.0 110.444 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -90.75 -10.5 42.72 Favored 'General case' 0 C--O 1.261 1.665 0 O-C-N 120.617 -1.302 . . . . 0.0 112.553 -171.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 88' ' ' THR . 23.8 m-20 -108.37 -5.94 16.47 Favored 'General case' 0 C--O 1.258 1.534 0 O-C-N 120.344 -1.473 . . . . 0.0 113.784 -170.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.24 130.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.74 -178.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.14 -30.33 1.76 Allowed 'General case' 0 C--O 1.257 1.496 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -113.15 149.8 33.09 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.697 -1.252 . . . . 0.0 111.217 -172.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.034 HG21 HD11 ' A' ' 62' ' ' LEU . 4.1 mp -135.83 161.82 37.71 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.729 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 36' ' ' GLU . 14.3 ttpt -157.87 147.99 20.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.723 1.725 . . . . 0.0 112.818 173.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.897 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 47.7 m95 -147.61 109.62 4.5 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.082 173.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 5.3 tt0 -107.29 162.89 13.49 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 121.736 -0.603 . . . . 0.0 110.797 -173.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.7 ttpm? -90.04 83.26 6.08 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.561 -0.712 . . . . 0.0 109.638 173.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 81' ' ' TYR . 1.1 p -22.49 -62.55 0.04 OUTLIER 'General case' 0 C--O 1.245 0.838 0 C-N-CA 125.134 1.373 . . . . 0.0 113.88 -169.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -54.78 24.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.937 0.875 . . . . 0.0 111.068 -175.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.48 -7.66 48.93 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -175.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt 48.45 48.69 19.07 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.621 -1.299 . . . . 0.0 111.009 -173.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -119.99 97.07 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 123.305 1.526 . . . . 0.0 112.228 -173.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.774 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -45.49 102.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 CA-C-O 122.463 1.125 . . . . 0.0 111.589 173.523 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.871 HD12 ' CE1' ' A' ' 60' ' ' TYR . 7.5 pt -93.15 -26.06 4.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.576 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -154.04 144.06 21.96 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 121.453 -0.78 . . . . 0.0 110.794 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.409 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 6.0 pt20 -171.78 153.28 3.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.784 1.278 . . . . 0.0 112.055 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.974 ' CE1' HG21 ' A' ' 53' ' ' THR . 0.2 OUTLIER -120.71 115.75 23.93 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.803 173.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.428 ' HG2' ' HG3' ' A' ' 49' ' ' LYS . 11.4 ttt85 -155.82 134.32 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.561 0.696 . . . . 0.0 110.659 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 1.5 mtpp 66.83 134.22 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.609 0.719 . . . . 0.0 110.537 -172.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.66 33.83 0.91 Allowed 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.571 -0.706 . . . . 0.0 111.892 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.5 -9.69 7.42 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 173.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 176.02 112.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.264 -1.334 . . . . 0.0 111.24 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.974 HG21 ' CE1' ' A' ' 47' ' ' PHE . 16.6 p -112.48 -176.63 2.96 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.626 0.727 . . . . 0.0 111.265 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' HE1' ' O ' ' A' ' 44' ' ' ILE . 32.0 t80 -132.22 89.94 2.74 Favored 'General case' 0 C--O 1.251 1.183 0 O-C-N 121.626 -0.671 . . . . 0.0 111.192 -174.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.82 10.71 0.14 Allowed 'General case' 0 C--O 1.257 1.467 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -174.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.64 83.81 6.74 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 120.13 1.332 . . . . 0.0 112.028 -173.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.623 ' HB2' HG22 ' A' ' 59' ' ' THR . 7.1 ptmt 179.39 149.75 0.29 Allowed 'General case' 0 C--O 1.257 1.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.552 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.4 -28.64 24.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.325 1.059 . . . . 0.0 112.249 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 57' ' ' LYS . 6.4 t -51.23 -32.61 24.68 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.307 174.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.871 ' CE1' HD12 ' A' ' 44' ' ' ILE . 87.1 m-85 -150.54 105.8 3.35 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.117 172.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.609 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -106.8 160.93 15.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.55 1.167 . . . . 0.0 111.656 178.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.034 HD11 HG21 ' A' ' 33' ' ' ILE . 2.5 tp -120.01 124.84 46.88 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 124.354 1.062 . . . . 0.0 110.387 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.872 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 59.9 m-85 -111.78 171.68 7.35 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.673 -1.267 . . . . 0.0 111.252 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.01 67.22 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.822 0.82 . . . . 0.0 110.965 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.746 ' O ' HG21 ' A' ' 21' ' ' ILE . 12.4 p30 -79.05 0.9 26.0 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 121.715 -0.616 . . . . 0.0 112.049 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 23.39 38.25 Favored Glycine 0 C--O 1.25 1.118 0 O-C-N 120.871 -1.143 . . . . 0.0 112.245 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.72 HG22 ' HD2' ' A' ' 63' ' ' PHE . 3.3 m -89.99 158.92 17.14 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.002 -1.293 . . . . 0.0 110.801 173.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 2.5 tp -133.74 104.21 6.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.036 0.922 . . . . 0.0 111.4 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.872 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 14.7 tttt -87.0 102.77 14.72 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 121.689 -0.632 . . . . 0.0 110.779 -173.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.708 HD13 ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -117.26 131.41 70.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 123.231 1.491 . . . . 0.0 109.402 -173.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 23.1 tttp -100.44 155.48 17.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.335 -171.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 60.61 107.21 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.207 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 73' ' ' LEU . 1.6 tm? -134.91 69.91 1.45 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.5 -172.49 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.977 0.894 . . . . 0.0 110.623 168.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.454 ' HA ' HG13 ' A' ' 102' ' ' ILE . 64.4 m -55.52 -27.84 51.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.181 0.991 . . . . 0.0 112.546 175.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -30.22 30.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.113 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -99.66 11.12 40.04 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.482 ' HB2' HD11 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -90.66 85.35 6.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 120.84 -1.162 . . . . 0.0 111.138 174.14 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 80' ' ' ILE . 3.1 m-20 -100.53 171.42 7.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.239 1.019 . . . . 0.0 111.147 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.7 HG23 ' HB3' ' A' ' 99' ' ' ASP . 0.5 OUTLIER -95.55 147.67 5.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.868 172.698 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.867 ' HE2' ' HE1' ' A' ' 60' ' ' TYR . 59.3 m-85 -139.77 164.22 30.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.441 1.115 . . . . 0.0 111.607 -171.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.443 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 32.1 ttmt -153.69 131.82 11.84 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.927 0.87 . . . . 0.0 110.83 174.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.036 HG22 HD11 ' A' ' 85' ' ' ILE . 4.5 p -105.58 119.68 55.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 122.438 1.113 . . . . 0.0 111.356 -173.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.09 122.2 37.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.775 0.798 . . . . 0.0 110.303 173.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.036 HD11 HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -131.41 120.86 47.11 Favored 'Isoleucine or valine' 0 C--O 1.255 1.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.912 -173.353 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.496 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -118.03 168.57 10.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.897 1.332 . . . . 0.0 112.405 -167.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.484 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 9.1 p30 -89.19 -174.78 4.55 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.361 1.077 . . . . 0.0 110.998 176.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 29' ' ' ASP . 68.7 p -56.58 -24.07 44.98 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.421 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -99.38 25.47 6.93 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.952 -1.093 . . . . 0.0 112.581 -172.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.55 15.19 56.97 Favored Glycine 0 C--O 1.248 1.016 0 O-C-N 121.123 -0.986 . . . . 0.0 111.946 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 11.1 mttt -90.32 119.83 30.94 Favored 'General case' 0 C--O 1.246 0.891 0 O-C-N 121.174 -1.192 . . . . 0.0 111.45 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -60.46 93.47 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.381 1.086 . . . . 0.0 110.648 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 91' ' ' LYS . 1.6 m -84.92 -11.96 11.49 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.453 0.644 . . . . 0.0 112.422 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tp -167.08 149.5 6.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.106 0.955 . . . . 0.0 110.846 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.7 152.94 36.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.926 0.869 . . . . 0.0 111.099 -173.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 1.1 tptm -161.88 162.66 29.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.817 0.817 . . . . 0.0 111.079 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.1 mt -117.76 148.31 20.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.585 0.707 . . . . 0.0 110.978 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.886 ' CE1' HD12 ' A' ' 7' ' ' LEU . 6.4 m-85 -137.37 174.73 10.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.156 0.979 . . . . 0.0 111.116 -178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.7 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -170.17 102.87 0.29 Allowed 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.528 0.68 . . . . 0.0 111.019 174.142 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.816 HD13 HD21 ' A' ' 19' ' ' LEU . 1.2 tp -54.02 146.1 15.31 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.673 0.749 . . . . 0.0 111.044 174.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.56 171.55 12.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.51 1.148 . . . . 0.0 111.342 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 13' ' ' LEU . 32.5 mm -126.37 146.17 32.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.211 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.513 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -141.13 151.18 43.7 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -172.403 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -173.54 90.92 0.08 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.798 1.285 . . . . 0.0 111.052 -176.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.169 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.05 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.534 ' H83' ' O2 ' ' A' ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . 0.534 ' O2 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.539 0 CA-C-O 121.956 0.884 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -84.22 111.6 19.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.772 0.796 . . . . 0.0 111.04 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.88 146.54 19.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.129 0.966 . . . . 0.0 111.048 -174.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 p -112.74 177.41 4.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.626 1.203 . . . . 0.0 110.986 174.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -127.07 42.81 3.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.081 1.42 . . . . 0.0 110.13 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.62 171.34 8.64 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.02 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.91 HD12 ' CE2' ' A' ' 98' ' ' PHE . 13.8 mt -132.99 100.89 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.593 1.187 . . . . 0.0 111.364 -173.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.3 107.92 0.42 Allowed 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.037 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.94 146.64 32.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.849 0.833 . . . . 0.0 110.98 176.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -142.92 147.4 35.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.647 0.736 . . . . 0.0 110.842 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.734 ' HA3' HD11 ' A' ' 73' ' ' LEU . . . -154.53 175.92 32.49 Favored Glycine 0 C--O 1.239 0.455 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -174.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.722 ' N ' HD12 ' A' ' 73' ' ' LEU . . . -126.86 128.83 47.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.948 0.88 . . . . 0.0 111.04 -174.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.725 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER -46.86 122.18 4.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.372 1.558 . . . . 0.0 110.767 174.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.725 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 85.31 49.53 4.39 Favored Glycine 0 C--O 1.254 1.35 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.426 -172.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.796 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -142.0 -179.43 6.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 120.851 -1.381 . . . . 0.0 111.155 -173.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.796 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -135.75 121.32 19.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.232 1.015 . . . . 0.0 109.339 169.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.005 HG21 HD11 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -120.17 157.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.711 1.243 . . . . 0.0 112.719 -169.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.59 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.68 167.72 9.93 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 123.424 1.583 . . . . 0.0 112.081 173.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.843 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -123.48 90.54 3.3 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 124.328 1.051 . . . . 0.0 109.979 172.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -154.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.756 0.789 . . . . 0.0 111.238 -170.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 94' ' ' LEU . 3.4 tp -169.56 155.21 5.86 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 121.383 0.611 . . . . 0.0 110.951 -172.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 1.011 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 23.1 Cg_exo -44.47 -172.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.303 1 C-N-CA 126.939 5.092 . . . . 0.0 115.465 174.084 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -87.88 30.94 0.8 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.574 -1.193 . . . . 0.0 112.186 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.682 ' HD1' ' N ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -121.14 139.46 53.32 Favored 'General case' 0 C--O 1.244 0.785 0 O-C-N 121.555 -0.716 . . . . 0.0 110.615 172.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.682 ' N ' ' HD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -159.57 161.2 35.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.282 1.039 . . . . 0.0 111.437 -174.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.548 ' CE ' HD11 ' A' ' 33' ' ' ILE . 15.5 ptp -70.6 164.93 23.88 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.319 1.057 . . . . 0.0 112.718 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m -156.38 -109.14 0.03 OUTLIER 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.701 -0.625 . . . . 0.0 110.033 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -88.77 -15.28 35.07 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 121.503 -0.748 . . . . 0.0 112.181 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.48 -29.97 9.86 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.744 -1.223 . . . . 0.0 113.484 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -85.08 153.36 3.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 121.658 0.742 . . . . 0.0 110.965 -173.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.683 ' OD1' HG22 ' A' ' 88' ' ' THR . 0.3 OUTLIER -137.18 -29.56 0.89 Allowed 'General case' 0 C--O 1.261 1.708 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -172.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -124.98 153.0 43.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 120.572 1.533 . . . . 0.0 111.648 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.865 HG23 HG23 ' A' ' 85' ' ' ILE . 1.6 mt -133.72 160.11 42.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.895 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.839 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.666 ' HG3' ' HG2' ' A' ' 46' ' ' GLN . 6.1 tttm -158.73 144.03 16.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.467 1.603 . . . . 0.0 112.183 176.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.843 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 36.1 m95 -131.94 130.11 41.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.472 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 33.9 tt0 -114.58 159.46 20.4 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 121.608 -0.683 . . . . 0.0 110.873 -173.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.861 ' NZ ' ' HB2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -104.23 149.16 25.54 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.306 0.574 . . . . 0.0 109.971 -178.377 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.988 HG21 ' CG2' ' A' ' 80' ' ' ILE . 19.8 p -84.72 -53.0 5.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.725 0.774 . . . . 0.0 112.063 -172.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.5 m -44.98 -58.63 3.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.718 0.771 . . . . 0.0 112.095 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.861 ' HB2' ' NZ ' ' A' ' 37' ' ' LYS . 1.6 m-20 -105.88 -0.6 25.02 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HG3' ' OE2' ' A' ' 36' ' ' GLU . 31.2 tttt 57.52 58.58 3.7 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 120.923 -1.111 . . . . 0.0 110.307 -173.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.0 ttmt -142.04 141.56 32.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 123.747 1.737 . . . . 0.0 112.109 -172.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.508 ' HB3' ' HE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.47 151.46 0.17 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 123.322 1.534 . . . . 0.0 112.802 -172.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 1.8 mt -128.69 -53.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 122.834 1.302 . . . . 0.0 110.624 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.751 ' CB ' HD13 ' A' ' 62' ' ' LEU . . . -149.71 145.08 26.49 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.397 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.666 ' HG2' ' HG3' ' A' ' 34' ' ' LYS . 14.4 mt-30 -156.13 157.61 36.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.56 1.648 . . . . 0.0 112.892 175.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.719 ' HE1' HG21 ' A' ' 53' ' ' THR . 3.7 m-85 -129.61 130.25 45.4 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.536 172.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -151.14 121.67 7.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.573 -0.704 . . . . 0.0 110.792 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.48 154.27 0.12 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.196 0.998 . . . . 0.0 110.356 -173.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.73 47.67 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.242 1.496 . . . . 0.0 110.686 172.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -124.63 -94.87 0.47 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.872 1.32 . . . . 0.0 109.105 -174.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -117.74 144.17 45.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.698 172.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.719 HG21 ' HE1' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -107.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.143 0.973 . . . . 0.0 112.012 -172.216 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.508 ' HE2' ' HB3' ' A' ' 43' ' ' LYS . 6.5 t80 -123.52 100.97 7.07 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.642 0.734 . . . . 0.0 111.263 175.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.08 107.43 4.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.747 0.784 . . . . 0.0 111.113 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.4 -38.87 48.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.755 0.788 . . . . 0.0 111.107 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.769 ' HB3' HG22 ' A' ' 59' ' ' THR . 15.0 tptt -165.62 172.64 11.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.797 0.808 . . . . 0.0 110.954 -174.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.87 -30.02 69.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.079 0.942 . . . . 0.0 112.364 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.769 HG22 ' HB3' ' A' ' 57' ' ' LYS . 8.8 t -50.69 -19.27 0.89 Allowed 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.989 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE1' HG23 ' A' ' 70' ' ' ILE . 11.4 m-85 -150.45 101.48 2.96 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 121.391 -0.818 . . . . 0.0 111.261 172.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HE3' ' O ' ' A' ' 62' ' ' LEU . 6.2 tttp -133.29 148.43 51.93 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 120.937 -1.102 . . . . 0.0 112.359 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.751 HD13 ' CB ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -92.68 159.64 15.35 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.469 0.652 . . . . 0.0 111.432 -176.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 86.8 m-85 -129.07 176.65 7.73 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.932 0.872 . . . . 0.0 111.13 173.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.6 -38.61 77.35 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.317 -0.864 . . . . 0.0 111.019 -176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.509 ' O ' HG21 ' A' ' 21' ' ' ILE . 14.5 p30 -79.88 3.25 20.34 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.66 -0.65 . . . . 0.0 112.127 -174.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.68 23.72 48.97 Favored Glycine 0 C--O 1.251 1.16 0 O-C-N 120.85 -1.156 . . . . 0.0 112.284 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.594 HG22 ' CD2' ' A' ' 63' ' ' PHE . 2.3 m -90.22 160.86 15.99 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 120.92 -1.341 . . . . 0.0 110.925 173.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.823 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 3.9 tp -132.35 116.49 16.93 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.108 -0.995 . . . . 0.0 111.282 172.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.651 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 1.9 tptt -81.82 118.74 23.13 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.694 0.759 . . . . 0.0 111.283 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.707 HD11 ' HG ' ' A' ' 19' ' ' LEU . 2.3 mt -111.38 111.41 36.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.535 0.683 . . . . 0.0 110.189 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -80.31 152.6 28.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.804 0.811 . . . . 0.0 110.943 175.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER 61.58 122.07 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.671 1.701 . . . . 0.0 110.897 -172.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 100' ' ' LEU . 2.6 tm? -135.62 61.74 1.65 Allowed 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 122.995 1.379 . . . . 0.0 111.639 -171.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.721 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.0 -175.0 2.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 122.827 1.299 . . . . 0.0 112.498 173.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.4 m -56.98 -28.29 62.21 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.161 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.06 -43.69 14.84 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.209 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.77 -13.09 62.11 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 121.87 -0.519 . . . . 0.0 111.856 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.423 ' CG ' HG12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -82.4 115.79 21.58 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.02 -1.05 . . . . 0.0 111.003 -178.226 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.9 177.33 8.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.444 1.116 . . . . 0.0 111.167 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.988 ' CG2' HG21 ' A' ' 38' ' ' THR . 8.0 mt -101.53 149.37 6.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.86 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 172.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 1.037 ' HE1' ' HB2' ' A' ' 100' ' ' LEU . 16.3 m-85 -139.85 172.82 12.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 122.017 0.913 . . . . 0.0 110.967 -171.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -151.39 122.28 7.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.942 0.877 . . . . 0.0 110.834 173.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.516 ' CG2' HD11 ' A' ' 85' ' ' ILE . 4.6 p -97.3 115.55 37.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.683 1.23 . . . . 0.0 111.121 -173.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -123.29 111.7 16.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.713 0.768 . . . . 0.0 110.354 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.865 HG23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -124.73 124.9 68.99 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.853 -173.029 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -119.08 -179.94 3.98 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 120.467 -1.396 . . . . 0.0 112.51 -167.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.76 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 10.4 p-10 -99.32 -168.5 1.62 Allowed 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.296 1.046 . . . . 0.0 110.688 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.683 HG22 ' OD1' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -62.98 -34.2 77.02 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.329 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -92.34 15.45 13.82 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.643 -0.66 . . . . 0.0 112.392 -173.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.83 23.43 78.01 Favored Glycine 0 C--O 1.25 1.131 0 O-C-N 120.862 -1.149 . . . . 0.0 112.568 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.76 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 5.7 mmmt -90.66 125.11 35.56 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 121.024 -1.28 . . . . 0.0 111.22 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.54 88.89 0.14 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.82 0.819 . . . . 0.0 110.32 172.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 91' ' ' LYS . 6.2 m -84.51 -26.82 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 122.433 1.111 . . . . 0.0 112.363 -173.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -138.93 143.29 38.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.569 1.176 . . . . 0.0 110.189 176.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.878 ' N ' HD23 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -158.66 152.03 22.89 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.431 -172.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.87 ' HG3' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -174.13 150.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.007 0.908 . . . . 0.0 110.991 -178.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.5 151.34 7.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.91 ' CE2' HD12 ' A' ' 7' ' ' LEU . 2.8 m-85 -134.9 166.11 23.76 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.592 -0.693 . . . . 0.0 111.101 -176.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.764 ' OD2' HG12 ' A' ' 80' ' ' ILE . 3.5 m-20 -149.68 90.16 1.68 Allowed 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.608 -0.683 . . . . 0.0 111.236 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.037 ' HB2' ' HE1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -66.05 125.94 27.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.843 0.83 . . . . 0.0 110.747 177.428 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 166.67 16.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.653 1.216 . . . . 0.0 112.091 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.553 ' CD1' HD13 ' A' ' 73' ' ' LEU . 4.3 mm -124.0 144.38 33.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.805 170.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 26.8 tt0 -127.36 61.38 1.38 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 124.98 2.324 . . . . 0.0 110.453 -172.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -175.53 94.14 0.06 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 124.113 1.911 . . . . 0.0 110.559 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 . . . . . 0 C--O 1.27 2.158 0 CA-C-N 113.6 -1.636 . . . . 0.0 111.043 -179.714 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.952 0.882 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -128.61 161.74 28.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.797 0.808 . . . . 0.0 110.994 -173.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.28 155.61 2.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.909 0.861 . . . . 0.0 111.23 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.7 p -102.44 140.76 36.3 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 121.665 0.745 . . . . 0.0 110.965 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.557 ' O ' HD12 ' A' ' 97' ' ' ILE . 13.5 p30 -160.17 53.12 0.33 Allowed 'General case' 0 C--O 1.248 0.976 0 O-C-N 121.363 -0.836 . . . . 0.0 111.531 -173.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.06 172.75 14.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 123.296 1.522 . . . . 0.0 112.22 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.061 HD23 ' CE2' ' A' ' 98' ' ' PHE . 15.7 tp -139.32 122.01 16.39 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.934 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 117.79 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.522 0.677 . . . . 0.0 111.083 175.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.457 ' HB ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -118.83 116.18 25.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.644 0.735 . . . . 0.0 110.557 -176.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -104.01 156.13 18.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.195 0.998 . . . . 0.0 112.501 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.31 -174.49 30.17 Favored Glycine 0 C--O 1.239 0.446 0 CA-C-O 122.378 0.988 . . . . 0.0 111.595 173.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.0 158.83 43.34 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 121.739 -0.859 . . . . 0.0 110.389 173.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 102' ' ' ILE . 3.5 mp -79.31 138.06 37.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.712 1.72 . . . . 0.0 113.186 -172.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.93 34.33 38.54 Favored Glycine 0 N--CA 1.466 0.65 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -173.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.582 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 4.0 tp60 -164.58 152.95 12.47 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 124.679 2.18 . . . . 0.0 115.13 -168.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.582 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -79.39 157.32 27.63 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 123.506 1.622 . . . . 0.0 112.546 -171.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.457 HD11 ' HB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -146.04 139.47 20.82 Favored 'Isoleucine or valine' 0 C--O 1.25 1.094 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.96 172.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -104.27 158.35 16.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.56 1.648 . . . . 0.0 112.593 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.097 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -117.65 69.07 0.77 Allowed 'General case' 0 C--O 1.242 0.704 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.703 -177.124 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.41 104.54 14.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.508 1.147 . . . . 0.0 109.867 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.031 HG23 ' HD3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -96.36 -54.75 0.21 Allowed Pre-proline 0 C--O 1.264 1.853 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -169.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 1.031 ' HD3' HG23 ' A' ' 21' ' ' ILE . 25.3 Cg_endo -80.45 142.27 14.63 Favored 'Trans proline' 1 N--CA 1.536 4.009 1 C-N-CA 126.124 4.549 . . . . 0.0 117.893 -170.728 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 t -93.69 21.37 6.49 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 124.08 0.952 . . . . 0.0 111.06 172.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -123.33 172.27 8.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.212 1.006 . . . . 0.0 111.735 -170.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.2 106.57 6.44 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.892 0.853 . . . . 0.0 110.882 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.17 159.93 1.18 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.306 1.05 . . . . 0.0 111.282 -173.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.71 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.8 1.286 . . . . 0.0 112.053 -173.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.58 -98.22 0.03 OUTLIER 'General case' 0 C--O 1.254 1.332 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.937 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.851 ' O ' HG23 ' A' ' 88' ' ' THR . 3.8 m-20 -127.44 16.98 7.06 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.834 -1.166 . . . . 0.0 112.46 -172.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.501 HD12 HG21 ' A' ' 93' ' ' VAL . 9.5 mm -64.38 124.71 19.71 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 O-C-N 120.989 -1.069 . . . . 0.0 110.693 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -123.82 -39.16 2.42 Favored 'General case' 0 C--O 1.258 1.532 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -172.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.46 151.04 29.04 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.535 -1.353 . . . . 0.0 111.868 -171.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.906 ' HA ' HG23 ' A' ' 85' ' ' ILE . 2.5 mt -140.76 117.01 7.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.815 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.31 150.79 39.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.595 1.188 . . . . 0.0 111.371 -173.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 1.097 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 39.3 m95 -146.43 117.21 7.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.644 173.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.62 ' C ' HD12 ' A' ' 44' ' ' ILE . 4.0 mt-10 -105.2 162.28 13.54 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.397 0.618 . . . . 0.0 110.8 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.922 ' HB2' HD11 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -101.09 107.93 19.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.624 0.726 . . . . 0.0 109.806 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 1.094 ' CG2' HG22 ' A' ' 80' ' ' ILE . 6.4 p -50.38 -35.11 26.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.269 -171.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.4 m -53.37 -76.02 0.03 OUTLIER 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.561 0.696 . . . . 0.0 111.35 -173.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.53 ' OD2' ' HB2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -95.95 12.26 31.0 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 121.657 -0.652 . . . . 0.0 111.974 -177.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.38 56.14 8.13 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.986 -1.071 . . . . 0.0 110.219 -173.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.1 mmmt -134.8 128.82 33.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.977 1.37 . . . . 0.0 111.221 -173.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -43.08 152.65 0.11 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 123.923 1.82 . . . . 0.0 113.413 -172.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.922 HD11 ' HB2' ' A' ' 37' ' ' LYS . 39.8 mt -130.65 -49.31 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 122.744 1.259 . . . . 0.0 110.595 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -154.37 134.4 13.11 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.341 -174.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.51 145.86 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 123.062 1.411 . . . . 0.0 112.627 -173.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.536 ' HD1' HG22 ' A' ' 53' ' ' THR . 0.1 OUTLIER -131.1 137.47 49.09 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.59 172.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.61 86.58 0.31 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.486 0.66 . . . . 0.0 110.89 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 65.85 155.67 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.541 1.162 . . . . 0.0 110.131 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.79 44.32 1.11 Allowed 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.33 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.64 -10.09 14.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.742 1.258 . . . . 0.0 113.937 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 169.4 125.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.863 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.536 HG22 ' HD1' ' A' ' 47' ' ' PHE . 5.1 p -136.99 162.33 33.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.025 0.917 . . . . 0.0 111.234 -175.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -113.76 103.93 11.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.822 0.82 . . . . 0.0 110.947 -179.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -153.84 97.57 2.1 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.54 -54.67 6.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.577 0.703 . . . . 0.0 111.31 -175.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 176.69 12.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.331 1.063 . . . . 0.0 110.816 -173.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.29 -35.63 75.99 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.895 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.439 ' HA ' ' HB3' ' A' ' 71' ' ' LYS . 89.3 m -54.04 -16.78 2.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.367 -173.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.627 ' HE1' ' CE1' ' A' ' 81' ' ' TYR . 28.2 m-85 -147.79 88.71 1.7 Allowed 'General case' 0 C--O 1.251 1.173 0 O-C-N 121.652 -0.655 . . . . 0.0 110.538 173.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.824 ' HE3' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -106.06 159.58 15.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.238 1.494 . . . . 0.0 112.156 -172.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.732 HD11 HG22 ' A' ' 33' ' ' ILE . 13.4 tp -117.53 129.81 56.03 Favored 'General case' 0 C--O 1.251 1.142 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.611 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.824 ' HE1' ' HE3' ' A' ' 61' ' ' LYS . 22.3 m-30 -101.68 174.01 6.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.294 1.045 . . . . 0.0 111.214 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -72.73 -33.62 66.52 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-O 121.735 0.779 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -84.56 2.98 38.8 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 121.829 -0.545 . . . . 0.0 112.185 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.683 ' HA2' HG21 ' A' ' 33' ' ' ILE . . . 87.19 18.3 57.72 Favored Glycine 0 C--O 1.251 1.186 0 O-C-N 120.822 -1.174 . . . . 0.0 112.774 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.623 ' HB ' ' HD2' ' A' ' 63' ' ' PHE . 2.8 m -90.14 146.88 23.95 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.851 -1.382 . . . . 0.0 110.921 173.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.723 HD23 ' HG ' ' A' ' 19' ' ' LEU . 1.4 tp -120.93 127.64 52.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 110.911 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.18 145.22 30.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.022 0.915 . . . . 0.0 110.891 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.711 HD11 ' CE2' ' A' ' 81' ' ' TYR . 4.3 mt -112.75 98.76 7.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 171.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 24.1 tttt -77.11 134.82 38.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 124.038 1.875 . . . . 0.0 115.586 -167.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.7 t60 39.67 90.68 0.01 OUTLIER 'General case' 0 C--O 1.252 1.206 0 C-N-CA 125.886 1.674 . . . . 0.0 114.716 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.754 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -179.37 175.87 0.88 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 125.586 2.612 . . . . 0.0 114.975 170.7 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.601 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.51 -155.96 0.51 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-N 113.663 -1.608 . . . . 0.0 113.112 -172.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.447 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.7 m -45.4 -27.29 0.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.978 0.894 . . . . 0.0 112.712 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -49.13 73.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 1.1 m-20 -70.83 -11.34 60.9 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.142 173.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 1.026 ' HG2' ' HB2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.92 100.72 13.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.621 1.2 . . . . 0.0 110.305 178.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.909 ' C ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -135.4 168.99 18.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.95 1.357 . . . . 0.0 111.563 178.701 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.094 HG22 ' CG2' ' A' ' 38' ' ' THR . 96.4 mt -84.45 142.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 122.65 1.214 . . . . 0.0 110.699 175.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.711 ' CE2' HD11 ' A' ' 70' ' ' ILE . 96.8 m-85 -137.38 168.76 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.941 0.877 . . . . 0.0 110.849 -172.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' CG ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -150.45 135.58 17.78 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 121.445 0.641 . . . . 0.0 110.429 173.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.095 HG23 HD11 ' A' ' 85' ' ' ILE . 1.4 p -117.74 128.32 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.596 1.189 . . . . 0.0 111.535 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.769 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 61.4 p -134.65 106.91 7.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.779 0.8 . . . . 0.0 110.494 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.095 HD11 HG23 ' A' ' 83' ' ' VAL . 2.1 mm -110.78 119.17 58.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.72 -173.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.769 ' HE1' ' HB2' ' A' ' 84' ' ' SER . 1.0 OUTLIER -110.03 171.02 7.7 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.905 1.336 . . . . 0.0 112.601 -167.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.635 ' HB3' HG11 ' A' ' 93' ' ' VAL . 41.3 p-10 -93.99 -168.4 1.87 Allowed 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.857 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 29' ' ' ASP . 36.8 p -59.46 -28.23 66.8 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.988 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -90.71 3.85 53.15 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 121.167 -0.958 . . . . 0.0 112.62 -173.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.08 1.94 90.45 Favored Glycine 0 C--O 1.252 1.275 0 O-C-N 120.734 -1.229 . . . . 0.0 112.75 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.748 -1.442 . . . . 0.0 111.902 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -72.45 86.06 1.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.819 0.819 . . . . 0.0 110.315 172.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 87' ' ' ASP . 1.7 m -77.31 -23.3 14.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.277 1.036 . . . . 0.0 112.629 -172.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -147.97 145.38 28.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.181 0.991 . . . . 0.0 109.598 173.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.952 ' N ' HD13 ' A' ' 94' ' ' LEU . 2.1 tm-20 -155.03 164.97 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.271 1.51 . . . . 0.0 112.899 -171.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.575 ' N ' ' HG2' ' A' ' 95' ' ' GLU . 5.3 mttp -178.4 158.1 1.08 Allowed 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.746 173.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -112.7 159.57 12.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 O-C-N 121.631 -0.668 . . . . 0.0 110.473 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 1.061 ' CE2' HD23 ' A' ' 7' ' ' LEU . 3.8 m-85 -138.48 168.5 19.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.763 1.268 . . . . 0.0 113.082 -171.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.758 ' CG ' HG12 ' A' ' 80' ' ' ILE . 4.0 t0 -157.36 113.85 2.95 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 122.609 1.195 . . . . 0.0 112.04 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.026 ' HB2' ' HG2' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -42.48 160.92 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.88 1.8 . . . . 0.0 115.38 173.253 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.846 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 4.3 mmpt? -159.79 171.37 19.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.261 -1.336 . . . . 0.0 110.582 165.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.717 HG21 ' CD1' ' A' ' 13' ' ' LEU . 3.3 mm -150.76 138.21 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 122.427 1.108 . . . . 0.0 109.491 169.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -100.61 112.75 25.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.799 1.285 . . . . 0.0 111.966 -170.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.83 87.8 0.01 OUTLIER 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.67 173.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.131 0 CA-C-O 122.042 0.925 . . . . 0.0 111.2 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.924 0.868 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -126.08 120.82 31.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.875 0.845 . . . . 0.0 111.05 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 4' ' ' THR . 4.4 mm -121.43 157.78 24.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.942 0.877 . . . . 0.0 110.996 173.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.487 ' O ' HG22 ' A' ' 3' ' ' ILE . 32.4 p -91.54 171.69 9.01 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.964 0.888 . . . . 0.0 110.972 177.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.65 ' O ' HD12 ' A' ' 97' ' ' ILE . 35.4 m-80 -151.79 49.74 0.8 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.019 0.914 . . . . 0.0 110.911 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.4 172.9 17.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.248 1.023 . . . . 0.0 111.142 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.905 HD23 ' CD2' ' A' ' 98' ' ' PHE . 49.3 tp -138.58 95.94 3.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.886 0.85 . . . . 0.0 110.949 -176.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 103.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.851 0.834 . . . . 0.0 110.901 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.712 HG22 ' HA ' ' A' ' 100' ' ' LEU . 1.2 m -109.26 140.05 43.41 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.424 0.63 . . . . 0.0 110.502 -177.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.441 ' CE2' ' HD2' ' A' ' 101' ' ' LYS . 86.0 m95 -137.9 141.5 40.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.786 0.803 . . . . 0.0 111.659 -172.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.79 -136.95 2.94 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.914 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . . . -169.01 146.72 3.75 Favored 'General case' 0 C--O 1.241 0.65 0 O-C-N 121.647 -0.914 . . . . 0.0 111.579 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.998 HD13 ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -66.33 122.17 16.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.959 1.838 . . . . 0.0 110.212 172.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.872 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 94.04 32.05 7.73 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.914 ' HG3' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -117.59 -173.96 2.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 124.568 2.128 . . . . 0.0 114.326 -169.553 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.56 120.59 6.68 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.966 171.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.658 HG22 HD11 ' A' ' 73' ' ' LEU . 15.5 tt -149.2 163.59 4.33 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.713 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -113.03 161.33 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.732 1.73 . . . . 0.0 112.859 -172.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.099 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -102.27 122.47 44.28 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.841 173.186 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.01 -155.23 0.46 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.979 0.895 . . . . 0.0 111.106 -171.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.994 HG12 ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -168.95 150.58 4.53 Favored Pre-proline 0 C--O 1.245 0.835 0 CA-C-O 121.388 0.614 . . . . 0.0 110.584 -173.427 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 1.054 ' HG3' HD21 ' A' ' 94' ' ' LEU . 10.0 Cg_endo -46.84 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.389 1 C-N-CA 127.041 5.161 . . . . 0.0 114.565 176.208 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.06 29.92 0.8 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.566 -174.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.71 123.99 49.85 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 121.647 -0.658 . . . . 0.0 110.06 171.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.96 151.08 39.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.58 1.181 . . . . 0.0 111.203 -172.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.832 ' HG2' HD12 ' A' ' 30' ' ' ILE . 2.5 mtp -89.58 164.77 14.63 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.997 0.903 . . . . 0.0 110.996 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 p -156.41 -120.86 0.03 OUTLIER 'General case' 0 C--O 1.252 1.194 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.113 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.46 20.26 4.67 Favored 'General case' 0 C--O 1.254 1.305 0 O-C-N 120.842 -1.161 . . . . 0.0 111.828 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 88' ' ' THR . 97.7 m-20 -124.22 -45.46 1.97 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.532 1.158 . . . . 0.0 112.816 -173.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.832 HD12 ' HG2' ' A' ' 26' ' ' MET . 1.2 mt -73.1 135.53 27.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.691 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -21.25 4.37 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' A' ' 86' ' ' TYR . 5.2 t70 -122.81 143.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 123.059 1.409 . . . . 0.0 111.977 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.021 HG23 ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -132.38 155.65 41.63 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.487 173.501 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.609 ' HG2' ' HG3' ' A' ' 46' ' ' GLN . 4.9 mttp -157.61 142.63 16.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 123.254 1.502 . . . . 0.0 111.767 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 68' ' ' LEU . 38.3 m95 -142.34 120.82 12.44 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.55 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 43' ' ' LYS . 3.4 mt-10 -131.71 176.81 8.01 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 121.5 -0.75 . . . . 0.0 111.12 -173.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.642 ' HD3' ' HB3' ' A' ' 42' ' ' LYS . 1.0 OUTLIER -86.36 141.15 29.41 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 121.573 -0.705 . . . . 0.0 109.692 172.002 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 1.077 ' CG2' HG22 ' A' ' 80' ' ' ILE . 25.8 p -69.11 -58.36 4.18 Favored 'General case' 0 C--O 1.244 0.789 0 O-C-N 121.316 -0.865 . . . . 0.0 111.457 -170.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.01 -35.13 10.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.119 0.961 . . . . 0.0 110.776 -173.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.14 -28.89 68.51 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.733 0.777 . . . . 0.0 110.923 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp 55.49 60.2 3.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.944 0.878 . . . . 0.0 110.756 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 37' ' ' LYS . 5.5 tttt -138.76 121.37 16.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.521 1.153 . . . . 0.0 111.468 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HA ' ' CG ' ' A' ' 36' ' ' GLU . 10.3 mttp -49.33 158.84 0.36 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.781 1.277 . . . . 0.0 111.876 -174.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.772 HG23 ' CG ' ' A' ' 60' ' ' TYR . 47.1 mt -138.51 -50.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 123.15 1.452 . . . . 0.0 110.511 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.703 ' CB ' HD13 ' A' ' 62' ' ' LEU . . . -151.2 131.38 13.55 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 -176.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.609 ' HG3' ' HG2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -162.3 141.97 9.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 123.236 1.493 . . . . 0.0 113.225 -172.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.851 ' CD1' HG21 ' A' ' 53' ' ' THR . 0.3 OUTLIER -126.06 120.11 29.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.372 172.381 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.711 ' H ' HG22 ' A' ' 53' ' ' THR . 8.4 ttm180 -138.33 96.27 3.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.388 -0.82 . . . . 0.0 111.16 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? 68.38 156.88 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.625 1.202 . . . . 0.0 110.269 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.89 38.34 0.8 Allowed 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.045 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.84 -7.93 9.93 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 172.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 50.5 tt0 176.29 113.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.068 -174.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.851 HG21 ' CD1' ' A' ' 47' ' ' PHE . 30.4 p -148.74 168.96 21.52 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.658 0.742 . . . . 0.0 110.952 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -160.13 132.84 6.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 -173.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -170.15 33.43 0.02 OUTLIER 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.811 -0.556 . . . . 0.0 111.408 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -90.14 83.15 6.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.844 0.83 . . . . 0.0 111.388 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.9 mtmt 179.67 129.66 0.08 Allowed 'General case' 0 C--O 1.251 1.181 0 O-C-N 121.889 -0.507 . . . . 0.0 110.875 173.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.16 -35.01 61.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.542 1.163 . . . . 0.0 111.262 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 70' ' ' ILE . 57.3 m -52.03 -26.19 10.27 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.356 173.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.772 ' CG ' HG23 ' A' ' 44' ' ' ILE . 1.6 m-30 -151.06 93.84 1.98 Allowed 'General case' 0 C--O 1.26 1.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 174.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 68' ' ' LEU . 6.6 ttpt -134.85 150.28 50.45 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.613 -1.304 . . . . 0.0 113.243 -173.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.703 HD13 ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.19 168.48 12.71 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.854 0.862 . . . . 0.0 111.22 -176.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 1.046 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 69.6 m-85 -135.2 176.66 8.46 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.101 -0.999 . . . . 0.0 111.05 172.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.47 83.39 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.778 0.799 . . . . 0.0 111.002 177.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.538 ' O ' HG21 ' A' ' 21' ' ' ILE . 19.0 p30 -86.24 7.68 24.22 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 121.761 -0.587 . . . . 0.0 112.141 -174.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.56 22.27 58.65 Favored Glycine 0 C--O 1.25 1.108 0 O-C-N 120.879 -1.138 . . . . 0.0 112.577 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 63' ' ' PHE . 1.1 m -90.21 146.08 24.53 Favored 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.015 -1.285 . . . . 0.0 110.874 173.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.821 HD22 ' HB3' ' A' ' 35' ' ' TRP . 48.6 tp -112.78 102.46 10.49 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.627 -0.671 . . . . 0.0 111.786 173.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 1.046 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 7.8 tttp -78.98 120.31 23.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.336 -0.852 . . . . 0.0 111.284 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.099 HD11 HD22 ' A' ' 19' ' ' LEU . 7.8 mt -108.05 108.08 24.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.011 0.91 . . . . 0.0 110.268 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -98.3 145.88 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.792 0.806 . . . . 0.0 112.686 -172.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.524 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 8.6 t-160 60.6 109.82 0.02 OUTLIER 'General case' 0 C--O 1.244 0.81 0 CA-C-O 122.492 1.139 . . . . 0.0 111.964 177.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.106 ' HB3' ' CB ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -140.83 -176.52 4.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 123.762 1.744 . . . . 0.0 112.112 -176.418 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.998 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -153.41 -142.92 0.12 Allowed 'General case' 0 C--O 1.245 0.846 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.806 172.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.459 ' N ' ' HB2' ' A' ' 13' ' ' LEU . 17.2 m -79.53 -25.5 41.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 123.548 1.642 . . . . 0.0 110.449 164.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -82.55 -15.91 50.53 Favored 'General case' 0 C--O 1.263 1.792 0 C-N-CA 124.44 1.096 . . . . 0.0 112.92 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 1.106 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 15.4 t70 -69.89 -29.25 66.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 120.319 1.418 . . . . 0.0 110.549 173.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.557 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 6.5 tt0 -50.07 129.85 21.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.685 1.231 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 1.1 t70 -163.16 168.37 20.87 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 122.164 0.983 . . . . 0.0 110.763 175.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.077 HG22 ' CG2' ' A' ' 38' ' ' THR . 2.4 mp -96.31 146.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.381 1.086 . . . . 0.0 110.372 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.725 ' CD2' HD21 ' A' ' 19' ' ' LEU . 47.6 m-85 -140.66 164.21 30.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.805 0.812 . . . . 0.0 110.693 -171.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.56 134.38 12.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 121.664 0.745 . . . . 0.0 110.58 173.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.893 HG12 ' CE1' ' A' ' 98' ' ' PHE . 5.7 p -107.86 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 122.498 1.142 . . . . 0.0 111.226 -173.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.516 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -120.73 118.03 29.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.766 0.827 . . . . 0.0 110.317 175.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.021 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -129.9 119.44 47.33 Favored 'Isoleucine or valine' 0 C--O 1.247 0.964 0 O-C-N 121.821 -0.55 . . . . 0.0 110.052 -173.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.528 ' CD1' ' HA ' ' A' ' 92' ' ' ASN . 1.4 m-85 -113.57 159.67 19.36 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.725 1.25 . . . . 0.0 112.775 -168.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -84.25 -171.64 3.73 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 122.12 0.962 . . . . 0.0 111.065 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 29' ' ' ASP . 71.1 p -56.2 -36.55 68.53 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.084 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -86.27 20.14 2.48 Favored 'General case' 0 C--O 1.254 1.313 0 O-C-N 121.207 -0.933 . . . . 0.0 112.685 -172.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.6 11.79 60.54 Favored Glycine 0 C--O 1.25 1.117 0 O-C-N 120.883 -1.136 . . . . 0.0 112.192 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -87.26 134.84 33.5 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.935 -1.332 . . . . 0.0 111.305 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.528 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -72.46 87.46 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.179 0.99 . . . . 0.0 110.537 173.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.9 m -75.95 -22.02 15.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.195 0.998 . . . . 0.0 112.387 -173.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.054 HD21 ' HG3' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -154.94 144.38 21.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.439 1.114 . . . . 0.0 110.748 173.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.699 ' H ' HD22 ' A' ' 94' ' ' LEU . 5.3 pt-20 -155.51 147.16 23.07 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.417 -174.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.727 ' HB3' ' HE1' ' A' ' 98' ' ' PHE . 26.6 tttt -165.91 160.19 16.55 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.503 1.144 . . . . 0.0 111.47 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 5' ' ' ASN . 3.0 mt -112.56 140.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.167 0.984 . . . . 0.0 110.814 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.905 ' CD2' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -134.41 154.68 51.25 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.884 -173.073 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.594 ' OD1' HG23 ' A' ' 80' ' ' ILE . 3.4 m-20 -142.34 86.46 1.96 Allowed 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.477 -0.764 . . . . 0.0 111.167 -172.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.712 ' HA ' HG22 ' A' ' 9' ' ' THR . 4.0 tp -70.03 119.43 14.22 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.39 -0.819 . . . . 0.0 110.871 -175.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.557 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 24.4 mttm -116.48 174.45 6.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 123.221 1.486 . . . . 0.0 111.864 -173.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' ' 12' ' ' ALA . 5.9 mm -134.57 143.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.762 170.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -118.47 141.24 48.76 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.794 1.283 . . . . 0.0 111.8 -170.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -103.37 58.83 0.75 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 125.164 2.411 . . . . 0.0 110.242 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.139 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.983 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.674 ' H82' ' HE2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . 0.578 ' O2 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.746 ' HG2' ' N ' ' A' ' 2' ' ' GLU . 9.6 ttmt . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.915 0.864 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.746 ' N ' ' HG2' ' A' ' 1' ' ' LYS . 10.0 tp10 -98.7 140.68 32.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.913 0.863 . . . . 0.0 111.07 175.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.9 128.78 75.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.821 0.82 . . . . 0.0 110.886 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.5 p -161.6 177.44 10.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.898 1.332 . . . . 0.0 111.572 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.25 42.25 3.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 123.056 1.408 . . . . 0.0 110.301 173.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.04 175.72 5.38 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.183 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.773 HD12 ' CE2' ' A' ' 98' ' ' PHE . 11.6 mt -106.16 104.71 14.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.865 0.84 . . . . 0.0 110.938 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.34 110.15 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.636 0.731 . . . . 0.0 111.123 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.901 HG21 HD22 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -115.14 128.98 56.54 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 179.141 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -123.39 149.72 44.62 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 121.646 -0.659 . . . . 0.0 110.881 -173.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.06 -175.78 31.42 Favored Glycine 0 C--O 1.239 0.433 0 CA-C-O 122.796 1.22 . . . . 0.0 112.367 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -115.18 170.65 8.21 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 121.671 -0.899 . . . . 0.0 110.744 173.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.799 ' CD1' HG21 ' A' ' 102' ' ' ILE . 5.1 mp -80.01 132.5 36.01 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.25 1.024 . . . . 0.0 112.378 -173.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 37.34 23.74 Favored Glycine 0 N--CA 1.468 0.776 0 CA-C-O 123.32 1.511 . . . . 0.0 109.381 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.593 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 6.1 tt0 -131.74 132.09 43.56 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.756 1.265 . . . . 0.0 113.106 -170.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -79.55 134.53 36.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.899 176.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.871 ' CG2' HD21 ' A' ' 100' ' ' LEU . 5.9 tp -139.59 156.58 26.42 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 CA-C-O 121.333 0.587 . . . . 0.0 110.698 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.815 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.5 m120 -116.54 -179.27 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.626 1.679 . . . . 0.0 112.465 -172.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.88 HD13 ' CZ3' ' A' ' 35' ' ' TRP . 30.0 mt -139.39 127.52 22.47 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.742 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -119.51 116.77 26.76 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.898 1.332 . . . . 0.0 111.958 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.555 ' CG1' ' HD2' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -78.8 151.05 76.34 Favored Pre-proline 0 C--O 1.24 0.554 0 CA-C-O 122.029 0.919 . . . . 0.0 111.546 175.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.555 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 36.6 Cg_exo -46.3 -174.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.351 1 C-N-CA 127.158 5.238 . . . . 0.0 115.487 174.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -89.37 30.8 0.95 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.364 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.764 ' O ' HD22 ' A' ' 94' ' ' LEU . 8.2 m-30 -128.06 83.46 2.16 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 121.445 -0.784 . . . . 0.0 110.217 172.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 170.83 9.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.47 1.128 . . . . 0.0 111.639 -172.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.441 ' HB3' ' CG2' ' A' ' 30' ' ' ILE . 3.3 ptp -57.62 155.03 10.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.049 0.928 . . . . 0.0 111.069 -175.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -173.57 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 123.027 1.394 . . . . 0.0 110.892 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.68 -70.06 0.31 Allowed 'General case' 0 C--O 1.247 0.972 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.652 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -139.22 23.97 2.53 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 121.043 -1.035 . . . . 0.0 112.353 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 26' ' ' MET . 0.5 OUTLIER -79.15 133.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 121.052 -1.03 . . . . 0.0 110.555 173.623 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.95 -26.67 2.87 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -172.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.452 ' O ' HG22 ' A' ' 85' ' ' ILE . 3.6 t70 -105.5 140.01 39.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 120.752 -1.218 . . . . 0.0 111.304 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.96 HG23 ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -132.97 151.59 34.53 Favored 'Isoleucine or valine' 0 C--O 1.247 0.946 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.723 173.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 46' ' ' GLN . 4.8 ttpt -153.12 148.69 27.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 123.517 1.627 . . . . 0.0 112.131 173.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.88 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 48.9 m95 -144.78 109.1 4.84 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.059 174.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.565 ' OE2' ' HG2' ' A' ' 41' ' ' LYS . 3.8 tt0 -104.58 156.12 18.24 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-O 121.252 0.549 . . . . 0.0 110.791 -173.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.683 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 9.8 ttpt -88.97 83.92 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.365 0.602 . . . . 0.0 109.396 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.585 HG23 ' CA ' ' A' ' 81' ' ' TYR . 18.7 p -48.01 -23.65 0.86 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -169.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -47.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.264 -0.898 . . . . 0.0 111.74 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.19 24.35 12.98 Favored 'General case' 0 C--O 1.249 1.043 0 O-C-N 121.813 -0.555 . . . . 0.0 111.931 174.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HG2' ' OE2' ' A' ' 36' ' ' GLU . 2.5 ttmt 53.4 60.56 3.64 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.257 -0.902 . . . . 0.0 110.838 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.683 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 10.5 mmmt -128.73 105.58 8.36 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.624 1.202 . . . . 0.0 112.777 -173.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 128.94 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.938 1.351 . . . . 0.0 111.772 -175.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.1 pt -116.26 -29.6 2.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.441 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.061 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -156.59 127.99 7.06 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 121.42 -0.8 . . . . 0.0 110.516 -173.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -169.18 151.4 4.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.736 1.731 . . . . 0.0 113.282 -176.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 3.4 m-85 -121.61 110.57 16.16 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.451 172.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -135.52 108.75 7.76 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.371 -0.831 . . . . 0.0 111.185 -173.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.77 149.55 0.06 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.022 0.915 . . . . 0.0 110.695 -174.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.24 34.76 0.86 Allowed 'General case' 0 C--O 1.249 1.028 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.699 173.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -113.09 -9.44 13.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 169.97 116.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.96 -174.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.499 HG21 ' CD2' ' A' ' 47' ' ' PHE . 77.8 p -116.99 172.6 7.15 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.879 0.847 . . . . 0.0 111.211 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' HD1' ' C ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -122.16 99.52 6.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.649 0.738 . . . . 0.0 110.946 -173.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -159.58 44.93 0.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.782 0.801 . . . . 0.0 111.046 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -89.53 24.07 2.4 Favored 'General case' 0 C--O 1.253 1.286 0 O-C-N 121.886 -0.509 . . . . 0.0 112.324 -172.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -165.28 132.1 2.87 Favored 'General case' 0 C--O 1.244 0.798 0 O-C-N 120.916 -1.115 . . . . 0.0 111.221 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -33.11 74.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 70' ' ' ILE . 38.3 m -56.37 -13.93 2.57 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.96 -169.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 70' ' ' ILE . 27.1 m-85 -148.95 84.42 1.46 Allowed 'General case' 0 C--O 1.253 1.254 0 O-C-N 121.202 -0.936 . . . . 0.0 110.592 172.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.49 154.6 29.03 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 120.774 -1.204 . . . . 0.0 112.231 -172.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.061 ' CD1' ' HB1' ' A' ' 45' ' ' ALA . 7.7 mp -93.23 177.65 5.98 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.831 0.824 . . . . 0.0 111.174 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 2.8 m-85 -138.91 174.59 10.36 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.986 0.898 . . . . 0.0 110.975 172.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -64.12 -39.03 93.17 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.419 -0.8 . . . . 0.0 110.983 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -89.3 19.56 4.31 Favored 'General case' 0 C--O 1.252 1.227 0 O-C-N 121.967 -0.458 . . . . 0.0 111.969 -175.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' HA3' HG21 ' A' ' 21' ' ' ILE . . . 77.49 18.44 77.77 Favored Glycine 0 C--O 1.251 1.167 0 O-C-N 120.859 -1.15 . . . . 0.0 112.66 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' LEU . 1.2 m -88.61 161.98 16.61 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.017 -1.284 . . . . 0.0 111.11 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.815 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.3 tt -127.23 148.72 50.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.826 . . . . 0.0 111.093 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.659 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -134.0 136.21 43.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.594 0.712 . . . . 0.0 110.908 -176.636 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 59' ' ' THR . 1.3 mt -126.97 117.64 48.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.522 0.677 . . . . 0.0 110.456 -173.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.5 mtpm? -86.97 132.32 33.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.505 1.145 . . . . 0.0 113.465 -172.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 55.24 92.81 0.03 OUTLIER 'General case' 0 C--O 1.249 1.061 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.374 171.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.837 ' HB2' ' HB3' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -141.89 124.96 16.26 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 124.526 2.108 . . . . 0.0 115.751 -173.172 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.621 ' O ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -112.68 -162.09 0.78 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 120.303 -1.498 . . . . 0.0 111.197 172.288 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.438 ' HA ' HG13 ' A' ' 102' ' ' ILE . 24.8 m -46.17 -28.93 1.37 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.228 1.013 . . . . 0.0 112.798 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.58 -39.56 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.377 -176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.837 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 20.0 m-20 -80.13 -11.25 59.77 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.885 -0.509 . . . . 0.0 112.298 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -84.58 111.83 19.88 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.77 -1.206 . . . . 0.0 110.946 -172.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -138.37 165.51 26.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.668 1.223 . . . . 0.0 111.761 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.716 HG12 ' OD1' ' A' ' 99' ' ' ASP . 6.9 mt -86.81 139.98 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 122.011 0.91 . . . . 0.0 110.696 175.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.585 ' CA ' HG23 ' A' ' 38' ' ' THR . 20.4 m-85 -134.82 162.49 32.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.976 0.894 . . . . 0.0 111.01 -172.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -152.95 130.68 11.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.889 0.852 . . . . 0.0 110.818 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.939 HG22 HD11 ' A' ' 85' ' ' ILE . 10.4 p -100.69 121.56 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.648 1.213 . . . . 0.0 110.971 -173.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 p -119.86 114.44 22.1 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.177 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.96 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -125.33 117.97 51.26 Favored 'Isoleucine or valine' 0 C--O 1.252 1.199 0 O-C-N 121.932 -0.48 . . . . 0.0 109.847 -172.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.416 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -112.59 170.63 8.05 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 120.638 -1.289 . . . . 0.0 111.953 -167.399 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 4.7 p30 -84.83 -170.5 3.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.88 0.848 . . . . 0.0 110.934 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -26.16 62.52 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 121.771 -0.581 . . . . 0.0 112.319 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -89.98 2.53 55.03 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.963 -1.086 . . . . 0.0 112.895 -172.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.69 17.64 79.7 Favored Glycine 0 C--O 1.248 1.026 0 O-C-N 120.623 -1.298 . . . . 0.0 112.979 -174.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.3 mmtt -90.5 121.98 32.93 Favored 'General case' 0 C--O 1.245 0.867 0 O-C-N 121.082 -1.246 . . . . 0.0 111.353 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' CA ' ' HD2' ' A' ' 86' ' ' TYR . 6.2 p-10 -62.25 98.9 0.12 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.241 1.019 . . . . 0.0 110.831 173.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 91' ' ' LYS . 3.0 m -92.94 -17.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.865 0.84 . . . . 0.0 112.627 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -161.67 144.73 12.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.89 1.329 . . . . 0.0 110.98 173.389 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -138.21 160.16 40.17 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.57 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HD2' ' CG ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -171.03 139.62 1.42 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.905 0.86 . . . . 0.0 110.988 176.512 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -93.6 155.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.404 1.097 . . . . 0.0 111.193 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.921 ' HE1' HG12 ' A' ' 83' ' ' VAL . 28.0 m-85 -143.68 171.6 13.96 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.003 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.716 ' OD1' HG12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -163.82 102.84 0.9 Allowed 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.957 -1.089 . . . . 0.0 111.273 -172.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.901 HD22 HG21 ' A' ' 9' ' ' THR . 0.1 OUTLIER -72.36 128.83 36.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.269 1.033 . . . . 0.0 110.835 173.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -125.73 171.38 10.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.88 1.324 . . . . 0.0 111.298 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.799 HG21 ' CD1' ' A' ' 13' ' ' LEU . 4.5 mm -127.96 147.61 32.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.06 171.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -134.41 151.26 51.08 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.683 1.23 . . . . 0.0 112.075 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -144.51 60.05 1.33 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 123.259 1.504 . . . . 0.0 111.172 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 . . . . . 0 C--O 1.27 2.152 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.993 174.796 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.825 ' H83' ' H3 ' ' A' ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . 0.825 ' H3 ' ' H83' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.524 ' HE2' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.573 0 CA-C-O 121.967 0.889 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.52 165.96 10.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.913 0.863 . . . . 0.0 110.972 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 mp -143.42 165.77 14.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.939 0.876 . . . . 0.0 111.047 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -142.33 173.66 11.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.08 0.943 . . . . 0.0 111.116 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -146.04 47.48 1.23 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.151 0.977 . . . . 0.0 110.884 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.72 173.73 7.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.688 1.232 . . . . 0.0 111.171 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.698 HD12 ' CE2' ' A' ' 98' ' ' PHE . 8.0 mt -115.83 99.28 7.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.03 -173.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -54.92 99.9 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.937 0.875 . . . . 0.0 111.073 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.17 160.55 14.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.693 0.759 . . . . 0.0 110.826 -174.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -145.73 154.92 42.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.928 0.87 . . . . 0.0 111.454 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.4 -174.66 30.48 Favored Glycine 0 C--O 1.239 0.464 0 CA-C-O 122.493 1.052 . . . . 0.0 111.5 173.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.32 155.78 39.71 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.812 -0.817 . . . . 0.0 110.09 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.852 HD22 HG21 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -87.67 149.34 24.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 124.801 2.239 . . . . 0.0 113.61 -171.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.5 42.17 Favored Glycine 0 N--CA 1.464 0.528 0 CA-C-N 113.06 -1.882 . . . . 0.0 108.791 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -162.89 147.34 11.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 125.231 2.443 . . . . 0.0 116.999 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -80.1 144.15 33.35 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 113.81 -1.541 . . . . 0.0 111.585 -173.638 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.45 HD12 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -159.36 148.18 7.17 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 CA-C-O 121.357 0.599 . . . . 0.0 110.684 173.318 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.48 161.71 13.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.908 1.337 . . . . 0.0 112.2 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.085 HD13 HD23 ' A' ' 68' ' ' LEU . 1.4 mp -104.84 104.39 14.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 123.3 1.524 . . . . 0.0 109.652 172.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.89 109.08 20.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.846 1.308 . . . . 0.0 111.636 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.915 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -70.08 165.56 41.94 Favored Pre-proline 0 C--O 1.24 0.561 0 CA-C-O 122.138 0.97 . . . . 0.0 111.605 177.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.915 ' HD2' ' CD1' ' A' ' 21' ' ' ILE . 22.6 Cg_exo -44.79 -174.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.343 1 C-N-CA 127.375 5.384 . . . . 0.0 116.072 174.442 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -87.25 29.59 0.84 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.324 -1.307 . . . . 0.0 112.702 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -84.08 140.95 31.48 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 121.601 -0.687 . . . . 0.0 109.964 171.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -129.94 108.32 10.03 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.118 -0.989 . . . . 0.0 112.117 -172.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.791 ' HE1' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -76.12 170.17 16.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.568 0.699 . . . . 0.0 110.705 172.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -156.49 -111.51 0.03 OUTLIER 'General case' 0 C--O 1.246 0.897 0 O-C-N 121.61 -0.681 . . . . 0.0 110.933 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -84.07 -51.87 6.75 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.466 -0.771 . . . . 0.0 112.521 -172.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 88' ' ' THR . 4.8 m-20 -68.64 -18.18 64.25 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 121.176 -0.953 . . . . 0.0 113.411 -172.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -87.98 128.64 40.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.384 -0.822 . . . . 0.0 110.881 -176.485 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -31.75 3.27 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -101.82 138.56 38.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.656 1.217 . . . . 0.0 110.848 -172.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.905 HG23 ' CG2' ' A' ' 85' ' ' ILE . 3.3 mt -143.66 147.69 19.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.034 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.502 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -155.88 140.63 17.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 123.545 1.64 . . . . 0.0 112.737 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.958 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 m95 -138.79 126.16 21.68 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.36 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -121.48 168.51 11.63 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.566 0.698 . . . . 0.0 110.707 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -95.4 84.21 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.727 HG23 ' C ' ' A' ' 81' ' ' TYR . 42.0 p -33.51 -45.59 0.17 Allowed 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -170.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -55.92 -59.32 5.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.671 0.748 . . . . 0.0 111.201 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.62 4.42 51.95 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.85 57.91 6.02 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.254 -173.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -119.6 99.75 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 123.011 1.386 . . . . 0.0 112.471 -172.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -43.31 127.79 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.7 1.238 . . . . 0.0 112.013 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.745 HD12 ' CD2' ' A' ' 60' ' ' TYR . 32.8 pt -127.64 -32.07 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.077 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.885 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 62' ' ' LEU . . . -157.52 135.14 10.59 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 121.116 -0.99 . . . . 0.0 110.477 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.33 146.64 3.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 123.84 1.781 . . . . 0.0 113.444 -178.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.61 120.14 38.42 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.333 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -142.21 84.72 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.406 -0.809 . . . . 0.0 110.999 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.58 150.67 0.09 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.228 1.013 . . . . 0.0 110.199 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.04 37.95 0.79 Allowed 'General case' 0 C--O 1.251 1.159 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.448 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -118.78 -5.03 10.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 178.6 121.25 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.004 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.07 152.81 43.84 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.667 0.746 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' HE1' ' O ' ' A' ' 44' ' ' ILE . 45.6 t80 -105.09 106.62 17.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.072 0.939 . . . . 0.0 111.356 -175.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -164.19 61.04 0.15 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.041 0.924 . . . . 0.0 110.797 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -32.32 73.68 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.8 -172.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.723 ' CG ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -153.64 162.62 41.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.083 0.944 . . . . 0.0 111.362 176.258 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.8 -3.4 38.13 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.515 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.732 ' O ' HG23 ' A' ' 70' ' ' ILE . 9.4 t -57.94 -21.98 46.66 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.119 -0.988 . . . . 0.0 110.593 173.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.874 ' HE2' ' HE2' ' A' ' 81' ' ' TYR . 69.0 m-85 -150.45 83.83 1.36 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 121.561 -0.712 . . . . 0.0 111.039 171.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -104.54 144.46 31.66 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.309 -0.869 . . . . 0.0 111.157 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.708 HD12 ' H ' ' A' ' 63' ' ' PHE . 2.9 tp -100.27 144.07 29.72 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 123.077 0.551 . . . . 0.0 110.805 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.708 ' H ' HD12 ' A' ' 62' ' ' LEU . 2.8 m-30 -115.48 168.59 9.86 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.254 -0.903 . . . . 0.0 111.283 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.82 -34.38 78.23 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.773 0.797 . . . . 0.0 111.171 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -88.14 20.88 2.98 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 121.843 -0.535 . . . . 0.0 112.145 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.95 16.13 78.34 Favored Glycine 0 C--O 1.253 1.331 0 O-C-N 120.968 -1.083 . . . . 0.0 112.539 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.36 153.19 20.62 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 120.757 -1.437 . . . . 0.0 111.005 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -132.25 111.42 11.38 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.559 -0.713 . . . . 0.0 111.301 178.082 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -93.26 136.45 33.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.623 1.201 . . . . 0.0 110.877 -174.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.898 HD11 HD11 ' A' ' 19' ' ' LEU . 5.3 mt -120.02 113.76 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.71 0.767 . . . . 0.0 109.686 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 0.4 OUTLIER -86.52 119.45 26.79 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -169.106 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.525 ' O ' HD23 ' A' ' 73' ' ' LEU . 34.2 t60 49.97 86.79 0.03 OUTLIER 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.382 1.073 . . . . 0.0 112.863 170.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.939 ' HB2' ' HB2' ' A' ' 77' ' ' ASP . 35.5 mt -157.78 167.47 29.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 125.339 2.495 . . . . 0.0 113.8 177.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.615 ' CB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -114.12 -134.86 0.35 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.271 1.828 . . . . 0.0 113.772 -169.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.0 m -61.27 -25.27 66.98 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.805 1.288 . . . . 0.0 110.64 173.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -69.12 -31.58 70.37 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 122.82 1.295 . . . . 0.0 110.77 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.939 ' HB2' ' HB2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -69.36 -23.47 63.76 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.921 173.075 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.809 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 3.3 tt0 -82.65 89.48 6.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.412 1.101 . . . . 0.0 110.96 -175.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.65 173.32 8.17 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 122.33 1.062 . . . . 0.0 110.887 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.676 HG23 ' OD2' ' A' ' 99' ' ' ASP . 1.2 mp -97.55 133.28 39.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.884 0.85 . . . . 0.0 110.368 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.874 ' HE2' ' HE2' ' A' ' 60' ' ' TYR . 32.2 m-85 -127.67 165.95 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.682 1.23 . . . . 0.0 111.968 -171.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 10.3 ttmt -148.69 135.12 19.52 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.542 172.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.94 HG22 HD11 ' A' ' 85' ' ' ILE . 3.6 p -109.75 110.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.969 1.366 . . . . 0.0 110.838 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -116.28 123.06 46.75 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.216 179.455 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.94 HD11 HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -140.26 118.23 10.35 Favored 'Isoleucine or valine' 0 C--O 1.256 1.404 0 O-C-N 121.8 -0.562 . . . . 0.0 110.179 -172.061 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.558 ' HD1' ' C ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -126.24 166.32 17.32 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 120.284 -1.51 . . . . 0.0 110.521 -167.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -81.14 -171.38 3.21 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 -174.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 29' ' ' ASP . 6.5 p -54.66 -40.6 69.22 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 121.452 -0.78 . . . . 0.0 111.687 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -91.43 29.06 1.54 Allowed 'General case' 0 C--O 1.248 1.022 0 O-C-N 121.546 -0.721 . . . . 0.0 112.274 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.72 23.01 62.61 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 121.139 -0.976 . . . . 0.0 111.972 173.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -90.63 103.68 16.35 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.367 -1.078 . . . . 0.0 111.514 -177.613 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.25 99.8 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.005 0.907 . . . . 0.0 110.99 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 91' ' ' LYS . 35.4 m -86.5 -28.76 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.608 1.194 . . . . 0.0 111.851 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.74 HD21 HD11 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -155.79 142.99 19.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.849 1.309 . . . . 0.0 111.636 175.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -146.32 134.26 21.37 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.833 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.699 ' CD ' ' HG2' ' A' ' 22' ' ' PRO . 21.6 mttt -148.76 165.78 30.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.499 0.666 . . . . 0.0 110.721 -174.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -120.79 157.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -173.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.698 ' CE2' HD12 ' A' ' 7' ' ' LEU . 7.5 m-85 -146.07 167.53 23.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.848 0.833 . . . . 0.0 111.397 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.676 ' OD2' HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -159.33 95.76 1.26 Allowed 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.349 0.595 . . . . 0.0 111.024 175.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -67.22 151.06 48.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.92 0.867 . . . . 0.0 111.465 176.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.809 ' HA ' ' HG3' ' A' ' 78' ' ' GLN . 74.8 mttt -145.6 167.93 21.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.679 1.228 . . . . 0.0 111.94 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.852 HG21 HD22 ' A' ' 13' ' ' LEU . 8.7 mm -123.79 138.28 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 122.564 1.173 . . . . 0.0 109.508 171.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -99.76 147.79 25.08 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 122.81 1.291 . . . . 0.0 112.384 -171.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.05 88.44 0.03 OUTLIER 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.543 1.163 . . . . 0.0 110.932 175.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.27 2.174 0 CA-C-O 121.95 0.881 . . . . 0.0 111.121 -175.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . 0.42 ' H5 ' ' CD2' ' A' ' 63' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.6 ' O ' ' HG2' ' A' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.24 0.571 0 CA-C-O 121.938 0.875 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -129.3 107.91 9.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.836 0.827 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mt -122.09 121.4 63.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.953 0.882 . . . . 0.0 110.977 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.1 p -133.75 170.95 14.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.0 0.905 . . . . 0.0 111.054 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -155.61 49.03 0.53 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.837 0.827 . . . . 0.0 110.946 174.161 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.28 173.28 12.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.886 1.327 . . . . 0.0 111.632 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.002 HD12 ' CE2' ' A' ' 98' ' ' PHE . 28.2 mt -120.11 118.13 29.76 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 122.292 1.044 . . . . 0.0 110.873 -177.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.11 92.46 0.18 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.877 0.846 . . . . 0.0 110.903 173.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.523 ' HB ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -111.8 128.87 56.24 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 121.265 0.555 . . . . 0.0 110.36 -174.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CZ2' ' HD2' ' A' ' 101' ' ' LYS . 85.8 m95 -129.93 164.64 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.442 1.115 . . . . 0.0 112.549 -171.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.51 166.52 35.4 Favored Glycine 0 C--O 1.239 0.461 0 CA-C-O 122.189 0.883 . . . . 0.0 111.717 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.785 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . . . -104.58 161.66 13.93 Favored 'General case' 0 C--O 1.253 1.264 0 O-C-N 121.722 -0.87 . . . . 0.0 110.48 172.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.77 ' CD1' HG21 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -74.31 126.34 30.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.935 1.35 . . . . 0.0 111.849 -172.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 36.34 28.89 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.785 ' NE2' ' HB3' ' A' ' 12' ' ' ALA . 6.3 tt0 -138.02 131.02 30.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 123.046 1.403 . . . . 0.0 112.584 -170.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -84.02 129.04 34.93 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.103 -173.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.528 ' CG2' HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -133.39 158.02 42.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.774 0.797 . . . . 0.0 110.736 -178.24 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.414 ' N ' HG13 ' A' ' 17' ' ' ILE . 80.4 m-20 -115.27 137.37 52.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.083 0.944 . . . . 0.0 112.085 -173.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.063 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 1.9 mm? -81.61 111.46 17.92 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.817 171.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -100.18 111.03 23.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.894 1.33 . . . . 0.0 112.367 -170.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.814 ' CD1' HG13 ' A' ' 85' ' ' ILE . 8.9 tt -70.21 155.57 93.23 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.403 171.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.807 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 28.6 Cg_exo -45.5 -177.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.526 3.437 1 C-N-CA 126.875 5.05 . . . . 0.0 115.643 176.39 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.2 p -88.94 30.66 0.91 Allowed 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.257 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -105.87 124.73 50.05 Favored 'General case' 0 C--O 1.247 0.956 0 O-C-N 121.617 -0.677 . . . . 0.0 109.946 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.25 148.19 44.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.603 1.192 . . . . 0.0 111.358 -171.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.629 ' HB3' HG21 ' A' ' 30' ' ' ILE . 5.2 ptm -84.4 171.76 12.34 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 122.017 0.913 . . . . 0.0 111.057 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.9 p -157.7 -118.05 0.02 OUTLIER 'General case' 0 C--O 1.251 1.173 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.182 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.54 -14.58 51.92 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.984 -1.073 . . . . 0.0 112.366 -173.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 88' ' ' THR . 54.5 m-20 -101.04 -24.6 14.28 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.763 -1.211 . . . . 0.0 113.256 -173.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.629 HG21 ' HB3' ' A' ' 26' ' ' MET . 1.3 mt -86.79 145.48 7.58 Favored 'Isoleucine or valine' 0 C--O 1.247 0.965 0 O-C-N 121.76 -0.587 . . . . 0.0 110.755 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.37 -38.68 1.18 Allowed 'General case' 0 C--O 1.258 1.504 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 85' ' ' ILE . 4.6 t70 -105.98 145.99 30.64 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 120.567 -1.333 . . . . 0.0 112.094 -171.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.964 ' HA ' HG23 ' A' ' 85' ' ' ILE . 17.2 mt -143.5 102.03 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.441 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 8.3 mmmt -114.32 149.29 36.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.233 1.492 . . . . 0.0 112.229 -173.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 1.063 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 37.6 m95 -141.72 129.91 22.19 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.288 172.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.82 168.56 11.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.807 0.813 . . . . 0.0 111.656 -173.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -97.08 108.49 21.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.395 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 1.086 ' CG2' HG22 ' A' ' 80' ' ' ILE . 5.0 p -46.9 -49.96 19.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.802 0.81 . . . . 0.0 112.186 -171.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 t -52.58 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.827 . . . . 0.0 111.59 -173.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.92 3.36 14.75 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 41' ' ' LYS . 4.4 mtpt 56.32 67.13 1.04 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.012 1.387 . . . . 0.0 110.24 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.65 104.55 6.41 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.615 -1.175 . . . . 0.0 113.486 -172.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -41.11 150.53 0.08 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.174 0.988 . . . . 0.0 112.295 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 60' ' ' TYR . 4.8 pt -147.88 -48.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.886 0.851 . . . . 0.0 111.036 -173.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.854 ' HB1' ' HG ' ' A' ' 62' ' ' LEU . . . -129.55 125.19 35.69 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 173.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -154.72 142.77 20.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.74 1.733 . . . . 0.0 113.158 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' HD1' HD12 ' A' ' 62' ' ' LEU . 2.0 m-85 -125.89 123.5 38.77 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.396 172.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.77 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -141.77 116.29 9.62 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 121.318 -0.864 . . . . 0.0 111.527 -173.076 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.26 159.87 0.18 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.901 . . . . 0.0 109.58 -176.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.547 ' C ' ' HG2' ' A' ' 51' ' ' LYS . 8.6 pt-20 -71.53 7.57 1.38 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.789 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 1.4 mmtp -159.99 122.1 3.31 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.279 1.032 . . . . 0.0 109.684 168.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.789 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER 143.66 76.27 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.963 1.305 . . . . 0.0 109.772 -169.609 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -103.77 139.15 39.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.839 1.304 . . . . 0.0 113.174 -171.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -128.82 85.67 2.35 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.909 171.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 15.73 0.47 Allowed 'General case' 0 C--O 1.261 1.703 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -170.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.2 72.48 7.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 120.535 1.516 . . . . 0.0 111.291 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.676 ' CG ' HG22 ' A' ' 59' ' ' THR . 0.6 OUTLIER 179.68 108.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.719 -0.613 . . . . 0.0 110.892 -174.41 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.14 0.972 . . . . 0.0 112.096 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.73 HG23 ' HD1' ' A' ' 60' ' ' TYR . 14.6 t -60.51 -15.25 25.34 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.626 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.872 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 68.2 m-85 -150.57 90.86 1.68 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.225 -0.922 . . . . 0.0 111.221 171.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -101.1 161.18 13.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.665 1.221 . . . . 0.0 111.629 -174.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.854 ' HG ' ' HB1' ' A' ' 45' ' ' ALA . 12.3 mt -107.57 151.68 25.28 Favored 'General case' 0 C--O 1.252 1.209 0 C-N-CA 123.779 0.832 . . . . 0.0 110.6 175.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.757 ' CD2' HG22 ' A' ' 67' ' ' THR . 22.6 m-30 -130.84 170.81 13.91 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.914 -1.116 . . . . 0.0 111.451 174.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -54.52 24.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.034 0.921 . . . . 0.0 111.18 -175.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -53.27 -21.57 5.67 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.928 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.19 24.76 10.04 Favored Glycine 0 C--O 1.245 0.806 0 O-C-N 121.099 -1.0 . . . . 0.0 111.851 -173.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.757 HG22 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -90.3 148.52 22.82 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.39 -1.064 . . . . 0.0 110.956 173.488 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.97 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 6.7 tp -105.84 154.86 19.94 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.301 0.572 . . . . 0.0 110.609 173.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -133.85 124.51 26.62 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.522 -0.736 . . . . 0.0 110.968 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.649 HD11 HD23 ' A' ' 19' ' ' LEU . 4.4 mt -117.97 110.56 31.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.154 0.978 . . . . 0.0 110.483 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 1.9 tttm -81.04 141.18 34.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 123.058 1.408 . . . . 0.0 113.426 -172.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 49.57 79.17 0.08 Allowed 'General case' 0 C--O 1.25 1.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.444 172.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -122.2 119.07 30.17 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -107.21 -162.79 0.86 Allowed 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.882 1.273 . . . . 0.0 110.518 169.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.458 ' HA ' HG13 ' A' ' 102' ' ' ILE . 86.6 m -49.76 -27.21 4.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.204 1.002 . . . . 0.0 112.477 176.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -38.38 49.97 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.389 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.847 ' HB3' HD12 ' A' ' 73' ' ' LEU . 1.5 m-20 -77.61 -12.47 59.97 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.378 -0.826 . . . . 0.0 112.01 174.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.475 ' HG3' ' HA ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -74.52 102.97 4.68 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.772 -1.205 . . . . 0.0 110.91 -176.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.2 176.06 8.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.335 1.064 . . . . 0.0 111.098 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.086 HG22 ' CG2' ' A' ' 38' ' ' THR . 31.9 mt -101.26 142.59 15.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.54 0.686 . . . . 0.0 110.137 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.95 ' HE2' ' HB2' ' A' ' 100' ' ' LEU . 33.5 m-85 -137.26 170.96 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.954 0.883 . . . . 0.0 111.426 -171.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.814 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 24.7 ttpt -156.37 155.36 32.05 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 173.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.09 HG12 ' HE1' ' A' ' 98' ' ' PHE . 12.0 p -129.31 128.85 66.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.587 1.184 . . . . 0.0 111.227 -174.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.587 ' HB2' ' HE1' ' A' ' 86' ' ' TYR . 35.0 p -133.56 103.66 6.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.899 0.857 . . . . 0.0 110.296 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.964 HG23 ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -112.69 113.97 45.66 Favored 'Isoleucine or valine' 0 C--O 1.25 1.129 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.207 -172.521 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.784 ' HD1' ' HA ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -109.62 167.48 10.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.103 1.43 . . . . 0.0 112.505 -169.325 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.618 ' OD1' ' HB2' ' A' ' 91' ' ' LYS . 14.9 p-10 -86.02 -165.23 1.19 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.463 1.125 . . . . 0.0 110.933 177.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 29' ' ' ASP . 60.0 p -62.59 -33.11 74.32 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.502 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -90.83 23.01 3.3 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 121.474 -0.766 . . . . 0.0 112.22 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.77 12.65 54.24 Favored Glycine 0 C--O 1.249 1.065 0 O-C-N 121.056 -1.027 . . . . 0.0 111.76 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.618 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 3.4 mtpp -86.06 113.59 22.25 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.161 -1.199 . . . . 0.0 110.987 -177.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.784 ' HA ' ' HD1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -61.1 91.62 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.712 1.244 . . . . 0.0 110.771 175.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 30' ' ' ILE . 17.3 m -69.6 -33.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 122.849 1.309 . . . . 0.0 110.835 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.418 HD21 ' HG2' ' A' ' 22' ' ' PRO . 12.3 tp -149.44 145.6 27.01 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 123.13 1.443 . . . . 0.0 111.446 173.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -138.01 155.73 48.54 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.542 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.814 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 tptt -167.47 154.27 8.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.414 1.102 . . . . 0.0 111.391 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 5' ' ' ASN . 1.5 mt -112.91 141.3 28.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.803 -174.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 1.09 ' HE1' HG12 ' A' ' 83' ' ' VAL . 11.2 m-85 -128.66 163.02 25.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.025 0.917 . . . . 0.0 111.414 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.14 108.02 3.36 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.741 0.781 . . . . 0.0 110.88 173.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.95 ' HB2' ' HE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -72.53 149.09 44.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.871 0.843 . . . . 0.0 110.857 178.602 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HD2' ' CZ2' ' A' ' 10' ' ' TRP . 2.5 mttp -139.85 163.54 32.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.762 1.268 . . . . 0.0 112.053 -173.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.77 HG21 ' CD1' ' A' ' 13' ' ' LEU . 27.6 mm -124.22 145.72 30.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.307 169.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.599 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -125.55 158.37 34.75 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.203 1.002 . . . . 0.0 111.347 -171.668 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.599 ' N ' ' HG2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -157.59 81.14 0.88 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 123.253 1.501 . . . . 0.0 110.67 -173.206 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 . . . . . 0 C--O 1.27 2.165 0 CA-C-N 114.805 -1.088 . . . . 0.0 111.009 -175.334 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' NAG . . . . . 0.406 ' H61' ' N2 ' ' A' ' 107' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' NAG . . . . . 0.406 ' N2 ' ' H61' ' A' ' 106' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' BMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_