data_2n7d_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 2n7d _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 . . . . . 0 CA--C 1.518 -0.269 0 N-CA-C 104.689 -2.337 . . . . 25.0 104.689 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -152.37 154.65 36.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.8 tp -104.88 130.03 53.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.157 -0.474 . . . . 50.0 110.843 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.99 145.34 45.9 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.631 -0.507 . . . . 50.0 109.631 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 m -99.52 139.44 35.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.427 -0.583 . . . . 25.0 109.427 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.13 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.969 -1.123 . . . . 50.0 107.969 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -120.24 110.55 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.401 ' HG ' ' CB ' ' A' ' 138' ' ' SER . 75.3 m -99.22 126.43 45.01 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.7 t -114.62 128.64 71.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.409 0.623 . . . . 50.0 111.69 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.43 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 40.5 mtp180 -117.79 141.95 47.83 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 104.686 -2.339 . . . . 50.0 104.686 169.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -67.66 -9.08 40.14 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.54 0.686 . . . . 25.0 111.357 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.55 12.4 10.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.718 1.207 . . . . 50.0 111.71 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.3 mt 58.05 25.31 12.17 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.459 1.103 . . . . 25.0 112.992 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.43 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 1.0 OUTLIER -97.14 25.37 5.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.321 176.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -72.33 148.8 44.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.285 -0.871 . . . . 50.0 109.914 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.9 p -149.69 153.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 107.851 -1.166 . . . . 50.0 107.851 -171.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -135.76 146.96 48.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -156.67 177.5 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.094 -1.817 . . . . 50.0 106.094 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.5 p -131.98 155.01 48.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.789 -0.819 . . . . 50.0 108.789 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.0 mt -132.75 144.67 50.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.835 0.454 . . . . 50.0 111.339 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -93.44 126.36 38.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.648 -1.241 . . . . 50.0 107.648 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.9 m -140.74 165.78 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.985 0.421 . . . . 50.0 110.136 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -83.84 160.58 21.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.96 -1.496 . . . . 50.0 106.96 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.93 92.92 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.798 -0.564 . . . . 25.0 109.831 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.55 17.5 16.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.622 0.725 . . . . 50.0 112.222 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.64 137.46 58.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.83 146.95 53.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.155 -0.341 . . . . 50.0 110.189 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.84 -33.06 74.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.624 -1.25 . . . . 50.0 107.624 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.2 -41.0 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.667 -0.697 . . . . 50.0 112.785 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -80.52 -37.87 30.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.704 0.764 . . . . 50.0 109.796 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.77 -44.36 96.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.707 -0.621 . . . . 50.0 112.05 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -27.93 68.88 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.835 -0.54 . . . . 50.0 110.707 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.29 -38.58 71.77 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.08 -37.3 85.44 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.467 -0.493 . . . . 50.0 110.175 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.33 -41.26 98.88 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 120.823 0.344 . . . . 50.0 110.085 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.6 -44.23 97.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.999 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.92 -51.5 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.651 0.611 . . . . 50.0 112.651 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.84 -35.18 69.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.969 0.414 . . . . 50.0 112.051 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.401 ' CB ' ' HG ' ' A' ' 107' ' ' CYS . 8.0 t -82.97 -22.97 33.57 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -176.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.44 16.61 80.59 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.292 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.7 pt -131.38 138.69 33.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.508 -0.923 . . . . 50.0 108.508 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -63.91 140.02 70.95 Favored 'Trans proline' 0 C--N 1.349 0.571 0 N-CA-C 116.058 1.522 . . . . 50.0 116.058 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.69 68.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.188 -0.915 . . . . 25.0 108.642 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.88 65.81 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.375 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -103.37 11.62 36.38 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.456 0.646 . . . . 50.0 110.683 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -143.25 171.25 14.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.64 0.733 . . . . 50.0 112.377 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -131.59 153.35 49.99 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.43 -1.693 . . . . 50.0 106.43 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.7 133.46 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.088 -1.079 . . . . 25.0 108.088 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.77 138.65 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.407 -0.815 . . . . 50.0 110.104 -170.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -141.52 140.53 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.795 -1.187 . . . . 50.0 107.795 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 44.71 26.27 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.063 0.458 . . . . 25.0 110.857 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.688 1.736 . . . . 50.0 115.688 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -126.45 141.1 39.04 Favored Pre-proline 0 N--CA 1.47 0.561 0 O-C-N 121.415 -0.803 . . . . 25.0 112.242 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -64.89 146.07 87.16 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 116.259 -2.027 . . . . 50.0 112.644 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.17 92.26 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.299 -1.371 . . . . 50.0 107.299 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -85.4 -25.79 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.815 1.043 . . . . 25.0 113.815 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.41 103.74 15.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.769 0.795 . . . . 25.0 111.463 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -63.59 -27.7 69.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.205 -0.907 . . . . 25.0 111.038 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -90.75 23.2 3.19 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.079 1.14 . . . . 50.0 114.079 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 143.87 33.81 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 105.073 -2.195 . . . . 50.0 105.073 170.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.4 p -86.34 160.97 18.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.266 -1.383 . . . . 50.0 107.266 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.39 -42.25 98.41 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.874 0.369 . . . . 50.0 111.581 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.99 -30.16 68.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 59.8 p -75.74 -17.25 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.708 -0.397 . . . . 50.0 111.926 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -88.9 -13.89 38.05 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 108.869 -0.789 . . . . 50.0 108.869 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 87.91 12.38 66.27 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 110.663 -0.975 . . . . 25.0 110.663 -174.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.85 82.92 2.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.433 -0.581 . . . . 50.0 109.433 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.86 176.09 5.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 50.0 112.259 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.99 127.09 17.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.323 -0.853 . . . . 50.0 112.782 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.36 -10.73 69.29 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.172 -0.922 . . . . 25.0 114.033 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.11 160.75 30.09 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 117.908 0.854 . . . . 50.0 111.43 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 14.5 t -125.13 137.14 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.453 0.538 . . . . 50.0 112.453 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.3 m -118.75 155.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.26 -0.644 . . . . 50.0 109.26 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.46 121.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.966 -0.383 . . . . 50.0 109.966 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.2 tt -102.26 134.5 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.582 -0.895 . . . . 50.0 108.582 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -123.99 109.29 13.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.872 0.469 . . . . 50.0 110.939 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 123.86 1.79 . . . . 50.0 111.804 179.388 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -135.14 161.05 36.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 123.736 0.647 . . . . 50.0 110.405 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.23 134.66 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.03 0.532 . . . . 50.0 110.06 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.52 150.88 47.03 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.335 -0.987 . . . . 50.0 108.335 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.6 m -103.98 136.44 43.62 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.4 t -125.08 126.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -112.67 109.84 19.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 35.0 t -97.5 129.84 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.49 131.8 72.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 120.959 0.409 . . . . 50.0 111.7 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -126.97 147.16 50.12 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 107.319 -1.363 . . . . 50.0 107.319 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -28.77 63.74 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.041 0.448 . . . . 25.0 111.29 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -74.72 9.2 1.93 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 114.423 1.268 . . . . 50.0 114.423 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.5 mt 59.21 26.84 15.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 122.417 1.104 . . . . 25.0 110.277 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t -90.99 21.44 4.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.888 -1.506 . . . . 25.0 107.628 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.54 151.57 42.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.01 -0.995 . . . . 50.0 111.311 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -153.41 148.8 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.755 -1.202 . . . . 50.0 107.755 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 t -127.56 137.94 52.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.82 175.36 12.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.846 -1.538 . . . . 50.0 106.846 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -129.25 147.89 51.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.918 -0.401 . . . . 50.0 109.918 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -131.87 150.52 52.13 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.185 -0.672 . . . . 50.0 109.185 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 135.91 44.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.321 -0.992 . . . . 50.0 108.321 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.1 m -140.31 158.98 25.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.345 -0.613 . . . . 50.0 109.345 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -83.79 166.02 18.34 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.422 -0.955 . . . . 50.0 108.422 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.05 88.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.57 0.7 . . . . 25.0 110.653 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.3 2.89 51.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 50.0 112.394 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.7 126.58 28.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.387 -0.597 . . . . 50.0 109.387 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.48 153.56 31.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 50.0 111.687 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -36.04 79.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.14 177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -57.77 -45.99 85.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.124 0.488 . . . . 50.0 109.697 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.5 -35.58 77.7 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.611 -0.722 . . . . 50.0 110.263 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -63.86 -36.39 83.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.704 -0.622 . . . . 50.0 112.521 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -66.03 -43.11 88.55 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.56 95.83 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.558 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.96 -42.42 89.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 50.0 111.993 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -73.36 -25.41 60.58 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.237 -0.585 . . . . 50.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -67.82 -42.71 81.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.14 -46.49 86.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.918 -0.583 . . . . 50.0 110.517 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -68.54 -42.9 77.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.216 0.532 . . . . 50.0 111.979 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.2 t -75.73 -26.94 57.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.22 14.64 81.71 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.785 -0.526 . . . . 25.0 111.785 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.61 130.01 22.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.095 -1.446 . . . . 50.0 107.095 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.26 131.93 49.2 Favored 'Trans proline' 0 C--N 1.352 0.761 0 N-CA-C 115.684 1.378 . . . . 50.0 115.684 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.2 -23.58 63.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.45 69.25 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.845 0.355 . . . . 25.0 110.9 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -84.48 15.01 3.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.86 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.8 p -139.03 169.36 17.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 116.675 2.102 . . . . 50.0 116.675 -172.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -117.5 149.36 40.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.996 -1.853 . . . . 50.0 105.996 168.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -116.6 131.37 69.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.213 -1.403 . . . . 25.0 107.213 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 123.729 0.811 . . . . 50.0 110.442 -169.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -140.87 142.06 34.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.59 -1.634 . . . . 50.0 106.59 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.89 44.78 28.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.188 0.518 . . . . 25.0 110.141 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.18 10.04 1.54 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.999 1.852 . . . . 50.0 115.999 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -127.94 146.6 59.7 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 121.594 -0.691 . . . . 25.0 111.408 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.89 150.56 55.52 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 116.2 -2.067 . . . . 50.0 112.975 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 54.1 mt -90.28 140.79 29.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.024 -1.473 . . . . 50.0 107.024 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.9 p -126.46 -43.45 1.75 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.848 1.796 . . . . 25.0 115.848 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -80.54 98.28 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -76.47 -12.05 59.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.76 -17.99 32.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.327 0.584 . . . . 50.0 110.627 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -65.81 150.57 48.34 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 120.577 -0.449 . . . . 50.0 110.346 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 95.0 p -77.82 162.6 26.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.506 -1.294 . . . . 50.0 107.506 171.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.7 mt -67.18 -33.13 74.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.199 0.523 . . . . 50.0 110.006 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.2 70.06 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.358 -0.383 . . . . 25.0 111.228 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.2 m -69.85 -16.48 63.27 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.02 0.378 . . . . 50.0 112.02 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -99.12 -7.09 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.398 -0.593 . . . . 50.0 109.398 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.73 24.15 54.0 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.223 -0.751 . . . . 25.0 111.223 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.59 83.35 1.54 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.103 -0.703 . . . . 50.0 109.103 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.55 164.89 22.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.707 -0.679 . . . . 50.0 112.007 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -54.87 128.64 34.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.234 -0.893 . . . . 50.0 110.217 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.69 -11.83 64.59 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.795 -0.639 . . . . 25.0 114.519 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.75 150.57 48.31 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.314 1.057 . . . . 50.0 111.351 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.66 130.13 65.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.392 -0.822 . . . . 50.0 109.53 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.4 t -116.96 139.14 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.2 -1.407 . . . . 50.0 107.2 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.3 132.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 18.5 tp -116.86 127.86 54.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.311 -1.737 . . . . 50.0 106.311 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -122.94 107.83 12.28 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.792 -0.567 . . . . 50.0 111.162 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 123.693 1.711 . . . . 50.0 111.586 178.55 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 . . . . . 0 C--O 1.239 0.542 0 N-CA-C 102.237 -3.246 . . . . 25.0 102.237 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -143.01 161.35 38.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.428 0.558 . . . . 50.0 109.725 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.77 135.0 54.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -127.13 157.84 38.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.036 -1.098 . . . . 50.0 108.036 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 m -111.5 143.91 41.58 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.1 t -125.05 119.38 55.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 107.743 -1.206 . . . . 50.0 107.743 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -101.21 108.94 20.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -94.19 124.95 38.52 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.39 127.28 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.421 0.629 . . . . 50.0 110.846 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -110.41 142.97 41.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.719 -1.586 . . . . 50.0 106.719 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -70.05 -8.23 47.55 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 121.224 0.535 . . . . 25.0 110.857 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -99.2 15.97 24.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.079 -0.964 . . . . 50.0 109.641 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt 57.13 25.21 10.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.32 26.05 1.76 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.686 0.755 . . . . 25.0 110.31 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.35 150.58 43.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.86 -1.064 . . . . 50.0 113.208 -172.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -153.2 154.48 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 106.985 -1.487 . . . . 50.0 106.985 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -130.06 141.96 50.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -153.72 170.73 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.7 -1.222 . . . . 50.0 107.7 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -126.08 151.83 46.67 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.239 0.472 . . . . 50.0 110.711 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.01 148.5 48.43 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.323 -0.621 . . . . 50.0 109.323 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.15 139.84 37.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.503 -0.925 . . . . 50.0 108.503 176.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.31 167.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -83.58 162.5 20.81 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.285 -1.005 . . . . 50.0 108.285 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.85 97.67 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 122.122 -0.361 . . . . 25.0 111.326 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -96.44 18.14 14.62 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.602 0.715 . . . . 50.0 111.37 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.74 126.79 28.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.21 148.73 49.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.592 -0.277 . . . . 50.0 110.927 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.75 -29.83 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.907 -0.317 . . . . 50.0 110.192 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -59.35 -43.94 92.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.073 0.463 . . . . 50.0 110.355 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -77.86 -34.18 51.84 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.812 -0.355 . . . . 50.0 110.356 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -64.62 -41.95 95.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.274 0.472 . . . . 50.0 112.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -27.33 66.31 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 120.449 -0.5 . . . . 50.0 110.691 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.44 64.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.94 -43.55 78.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.776 -0.647 . . . . 50.0 111.335 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.3 p -74.92 -25.36 58.85 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.134 -0.626 . . . . 50.0 111.241 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -65.49 -41.58 93.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.67 -48.11 78.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.583 -0.281 . . . . 50.0 111.575 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -68.31 -38.94 82.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.093 0.473 . . . . 50.0 112.014 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 t -82.1 -21.55 36.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.52 27.48 73.41 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.02 -0.61 . . . . 25.0 114.151 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 37.9 pt -126.4 146.8 57.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -64.98 132.88 33.65 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 115.915 -2.257 . . . . 50.0 112.788 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.38 -28.24 69.56 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.899 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.57 -25.38 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -97.16 11.62 35.66 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.264 0.554 . . . . 50.0 110.79 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.4 p -146.53 173.49 12.27 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 113.068 0.766 . . . . 50.0 113.068 -174.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -138.62 144.91 39.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 50.0 110.736 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -100.08 133.18 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.841 0.829 . . . . 25.0 108.823 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.02 133.88 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.059 -0.973 . . . . 50.0 108.69 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -138.58 141.61 39.2 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.94 -1.504 . . . . 50.0 106.94 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.31 41.64 28.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.212 0.53 . . . . 25.0 109.93 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 59.63 11.34 2.34 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.484 1.661 . . . . 50.0 115.484 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -124.58 146.5 52.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 O-C-N 121.499 -0.75 . . . . 25.0 111.586 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.74 150.34 62.07 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 115.785 -2.343 . . . . 50.0 112.54 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.52 137.0 32.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.963 -1.495 . . . . 50.0 106.963 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 82.6 p -126.25 -6.54 6.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.701 2.111 . . . . 25.0 116.701 -170.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -122.19 99.73 6.58 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.821 0.819 . . . . 25.0 109.022 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -75.84 -11.97 60.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.96 -5.97 58.92 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.665 -0.647 . . . . 50.0 110.816 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -86.53 148.76 25.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.371 -0.603 . . . . 50.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 54.8 p -81.85 162.35 22.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.379 -0.828 . . . . 50.0 110.121 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.11 -34.64 78.5 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.07 0.462 . . . . 50.0 111.628 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.76 70.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.517 -0.311 . . . . 25.0 111.315 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -68.47 -18.25 64.37 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.256 -0.277 . . . . 50.0 111.577 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -102.15 -2.44 29.32 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.206 0.527 . . . . 50.0 110.618 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.52 60.37 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-O 119.161 -0.799 . . . . 25.0 113.732 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.46 86.0 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.145 0.972 . . . . 50.0 109.83 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -80.55 163.64 23.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.682 0.754 . . . . 50.0 110.801 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -56.11 122.14 11.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.661 0.744 . . . . 50.0 112.127 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.47 -7.6 56.21 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.514 -0.767 . . . . 25.0 113.454 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -69.51 158.26 35.56 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.165 0.983 . . . . 50.0 109.378 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.58 141.94 44.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.678 -0.692 . . . . 50.0 110.053 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.63 159.27 17.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.277 -1.379 . . . . 50.0 107.277 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.19 120.9 65.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.001 -1.111 . . . . 50.0 108.001 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -98.61 123.22 42.66 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.796 -2.298 . . . . 50.0 104.796 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.06 117.32 28.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.359 -0.838 . . . . 50.0 111.343 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 126.483 3.04 . . . . 50.0 111.296 176.767 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 CA--C 1.516 -0.339 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -110.59 162.47 14.69 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.558 -0.534 . . . . 50.0 109.558 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 134.64 53.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.385 -0.968 . . . . 50.0 108.385 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.12 152.47 41.07 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.607 -0.886 . . . . 50.0 108.607 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.1 m -102.65 140.13 37.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.777 -1.194 . . . . 25.0 107.777 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.07 130.37 73.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 50.0 108.312 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -116.22 112.45 21.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.1 t -97.58 122.07 40.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.42 126.6 70.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.329 0.585 . . . . 50.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.71 143.75 42.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.963 -1.495 . . . . 50.0 106.963 173.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.55 -27.42 68.61 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.298 0.57 . . . . 25.0 110.25 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.72 11.5 1.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.356 1.243 . . . . 50.0 114.356 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.1 mt 58.59 23.1 10.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.335 1.054 . . . . 25.0 112.02 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.4 t -92.71 25.76 2.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.558 -1.201 . . . . 25.0 108.317 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.154 -0.93 . . . . 50.0 111.547 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.4 154.85 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.393 -1.336 . . . . 50.0 107.393 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 t -133.75 147.17 51.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 174.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -154.19 176.09 12.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.61 -1.996 . . . . 50.0 105.61 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 p -132.56 153.45 50.98 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.543 -0.54 . . . . 50.0 109.543 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.0 mt -129.84 147.2 51.58 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 109.121 -0.696 . . . . 50.0 109.121 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -103.99 126.51 51.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.075 -1.824 . . . . 50.0 106.075 172.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.4 m -136.73 161.95 35.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 107.687 -1.227 . . . . 50.0 107.687 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -84.56 165.34 18.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.714 -0.847 . . . . 50.0 108.714 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.57 86.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -91.3 17.12 8.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.431 0.9 . . . . 50.0 113.431 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.35 128.15 35.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.512 -0.742 . . . . 50.0 110.64 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -69.08 151.97 45.77 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.754 0.311 . . . . 50.0 111.345 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.102 172.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -64.75 -36.79 85.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 50.0 111.09 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -77.87 -35.5 50.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.782 0.801 . . . . 50.0 109.473 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.0 -44.5 96.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 50.0 112.019 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -27.97 68.83 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 119.925 -0.71 . . . . 50.0 110.908 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.98 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.158 0.435 . . . . 25.0 109.885 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.99 -38.96 92.7 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.232 0.539 . . . . 50.0 110.366 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.3 t -63.86 -42.86 97.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.207 0.527 . . . . 50.0 110.489 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.92 -39.85 93.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.566 . . . . 25.0 110.695 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.56 -48.4 81.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.207 0.447 . . . . 50.0 112.207 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -75.63 -34.74 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.213 0.449 . . . . 50.0 112.213 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 84.2 p -77.74 -25.56 49.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.054 -0.404 . . . . 25.0 111.446 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.71 13.75 78.18 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 121.001 -0.618 . . . . 25.0 114.116 175.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.41 148.28 63.47 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.72 -0.844 . . . . 50.0 108.72 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -63.39 135.31 49.26 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 116.397 -1.935 . . . . 50.0 113.947 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.31 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.729 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.94 -21.67 66.44 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.163 -0.471 . . . . 25.0 112.258 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.86 9.92 40.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 50.0 109.786 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.7 m -134.43 155.32 50.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.857 1.428 . . . . 50.0 114.857 -171.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -113.26 143.27 44.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.507 -1.664 . . . . 50.0 106.507 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -123.84 132.81 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.97 152.98 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.538 0.685 . . . . 50.0 111.666 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -141.44 137.01 31.89 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.196 -2.15 . . . . 50.0 105.196 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.68 43.31 24.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.367 0.417 . . . . 25.0 111.406 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 57.63 23.87 9.85 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -132.39 148.18 68.66 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.06 153.33 52.06 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 116.493 -1.871 . . . . 50.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.6 mt -103.59 116.1 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.325 -1.732 . . . . 50.0 106.325 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.4 p -130.15 -37.65 1.45 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 117.089 2.255 . . . . 25.0 117.089 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -83.54 109.34 17.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 -168.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -68.61 -17.1 64.05 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.869 -0.519 . . . . 25.0 109.807 173.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -75.07 5.39 5.34 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.649 0.78 . . . . 50.0 111.307 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -126.69 140.27 52.52 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.175 0.512 . . . . 50.0 109.686 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -80.76 165.02 22.31 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.905 -1.517 . . . . 50.0 106.905 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.58 -33.07 75.06 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.819 -0.551 . . . . 50.0 111.28 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.14 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.948 -0.47 . . . . 25.0 110.35 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.6 m -70.98 -16.5 62.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.626 -0.261 . . . . 50.0 111.203 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -97.5 -4.05 38.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.841 -0.429 . . . . 50.0 109.841 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.99 16.86 60.38 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-O 119.632 -0.538 . . . . 25.0 114.205 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.1 86.57 0.75 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.029 0.915 . . . . 50.0 111.326 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 157.14 37.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.402 -0.817 . . . . 50.0 111.286 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -59.47 130.04 44.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.624 0.726 . . . . 50.0 109.386 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.69 -10.78 70.52 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.097 -0.956 . . . . 25.0 113.733 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.04 161.86 29.61 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 118.144 0.972 . . . . 50.0 111.358 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.03 129.46 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.729 1.011 . . . . 50.0 113.729 -171.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.17 141.72 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.433 -1.321 . . . . 50.0 107.433 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 92.1 mt -116.97 131.27 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.56 -0.904 . . . . 50.0 108.56 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.1 tt -123.78 140.71 52.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.435 -0.95 . . . . 50.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -132.88 124.33 27.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.666 0.269 . . . . 50.0 110.935 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 122.953 1.359 . . . . 50.0 110.19 175.405 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 . . . . . 0 C--O 1.234 0.246 0 N-CA-C 101.514 -3.514 . . . . 25.0 101.514 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -136.53 159.85 40.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.116 -1.068 . . . . 50.0 108.116 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.2 tp -116.86 131.09 57.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.458 -0.942 . . . . 50.0 108.458 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -121.77 157.84 30.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.7 m -109.26 138.61 45.35 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.04 125.93 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.755 -1.202 . . . . 50.0 107.755 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -111.57 124.53 52.48 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.089 -1.819 . . . . 25.0 106.089 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.5 m -111.35 116.58 31.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.45 129.86 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.226 -0.443 . . . . 50.0 110.471 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.406 ' HD2' ' HB2' ' A' ' 113' ' ' SER . 93.4 mtt180 -114.34 149.97 35.25 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.403 -1.332 . . . . 50.0 107.403 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -61.05 -28.02 68.76 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.89 20.31 4.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.983 -0.553 . . . . 50.0 112.018 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.91 23.01 7.72 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -83.89 26.1 0.75 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.487 1.115 . . . . 25.0 111.305 176.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -72.38 152.84 41.78 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.628 -1.169 . . . . 50.0 112.353 -168.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.2 160.48 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.709 -1.219 . . . . 50.0 107.709 -172.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -138.81 150.75 46.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -157.61 174.23 15.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.24 -1.763 . . . . 50.0 106.24 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -123.5 151.45 42.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.017 -0.364 . . . . 50.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -133.59 145.76 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 50.0 110.749 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -102.32 131.99 48.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.707 -0.849 . . . . 50.0 108.707 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 m -146.08 166.08 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.225 -1.028 . . . . 50.0 108.225 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.89 166.22 15.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.986 -1.487 . . . . 50.0 106.986 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.83 95.92 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.883 -0.511 . . . . 25.0 110.38 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -91.21 16.83 9.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.623 0.725 . . . . 50.0 112.427 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.19 131.7 46.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.648 -0.871 . . . . 50.0 108.648 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -66.72 150.88 48.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.69 0.281 . . . . 50.0 111.504 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -37.35 86.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.971 -0.381 . . . . 50.0 109.971 172.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.43 -34.11 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.264 0.554 . . . . 50.0 110.933 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.34 -40.45 51.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.11 -0.7 . . . . 50.0 109.11 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.35 -43.71 98.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.88 0.696 . . . . 50.0 112.88 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -27.87 68.0 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.242 -0.583 . . . . 50.0 110.813 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.88 -37.24 64.78 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.44 -45.62 90.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.365 . . . . 50.0 110.892 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.0 p -72.19 -25.39 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.597 -0.841 . . . . 50.0 111.198 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.43 -42.38 96.05 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -44.91 91.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 50.0 111.779 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -68.58 -35.27 77.14 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.426 0.528 . . . . 50.0 112.426 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.0 p -92.52 -17.97 23.77 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.75 32.97 79.1 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.913 -0.66 . . . . 25.0 114.495 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.0 157.78 42.47 Favored Pre-proline 0 N--CA 1.469 0.487 0 CA-C-N 117.247 0.523 . . . . 50.0 110.661 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.97 113.99 3.84 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 114.508 -3.195 . . . . 50.0 108.954 165.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.37 -22.98 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.287 -0.883 . . . . 25.0 110.805 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.28 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.609 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -97.58 15.11 24.32 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.904 0.383 . . . . 50.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.6 p -135.43 166.89 22.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.545 0.688 . . . . 50.0 112.315 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -133.48 151.98 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 105.874 -1.899 . . . . 50.0 105.874 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.4 tt -124.1 133.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.0 t -124.62 137.64 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.642 -0.708 . . . . 50.0 111.364 -168.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -137.94 140.36 40.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.333 -1.358 . . . . 50.0 107.333 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.5 43.16 27.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.123 0.487 . . . . 25.0 110.833 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 61.72 5.76 1.4 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.872 1.804 . . . . 50.0 115.872 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -117.98 144.37 34.54 Favored Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 121.694 -0.629 . . . . 25.0 110.826 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.67 146.5 49.01 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 116.071 -2.153 . . . . 50.0 112.58 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 14.0 mt -92.72 83.66 4.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.917 -1.038 . . . . 50.0 109.02 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.2 p -104.43 -18.31 14.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.55 80.66 7.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.376 -0.972 . . . . 25.0 108.376 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.71 -12.55 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 -170.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.578 0.704 . . . . 50.0 109.861 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -75.58 148.61 38.71 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.274 0.559 . . . . 50.0 111.896 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 64.6 p -81.53 163.06 22.94 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.84 -1.17 . . . . 50.0 107.84 171.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.59 -30.04 70.72 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 121.15 0.5 . . . . 50.0 111.508 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.06 -30.21 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.432 -0.349 . . . . 25.0 111.117 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.1 t -69.86 -16.56 63.27 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.118 -0.364 . . . . 50.0 111.587 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -101.47 -6.84 23.45 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.295 -0.632 . . . . 50.0 109.295 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.37 27.8 46.75 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 119.36 -0.689 . . . . 25.0 113.027 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.38 86.42 0.42 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.108 0.954 . . . . 50.0 110.267 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -71.95 158.61 35.7 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.22 -0.9 . . . . 50.0 109.0 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -59.53 132.41 53.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.774 -0.824 . . . . 50.0 108.774 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.8 -13.67 65.9 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.452 -0.794 . . . . 25.0 113.801 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -64.99 149.38 49.92 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 118.202 1.001 . . . . 50.0 109.637 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.5 136.28 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 50.0 109.787 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 29.0 m -113.6 149.97 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.721 -1.214 . . . . 50.0 107.721 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 61.6 mt -117.13 105.92 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.886 -0.783 . . . . 50.0 108.886 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 tt -86.28 136.2 33.25 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.869 -1.9 . . . . 50.0 105.869 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -127.82 117.67 22.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.206 -1.219 0 CA-C-O 124.775 2.226 . . . . 50.0 110.41 178.193 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.2 p80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 48.6 mtm -98.94 160.05 14.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.133 -1.432 . . . . 50.0 107.133 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.17 124.75 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.086 -1.45 . . . . 50.0 107.086 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.91 154.06 36.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 108.319 -0.993 . . . . 50.0 108.319 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.7 m -106.28 135.67 47.35 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.0 127.57 75.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.623 -1.251 . . . . 50.0 107.623 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.86 110.33 20.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.0 t -97.52 119.11 35.49 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.7 t -105.88 123.85 60.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 120.926 0.393 . . . . 50.0 111.214 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -107.32 144.03 34.75 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 106.724 -1.584 . . . . 50.0 106.724 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -63.74 -19.3 64.85 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -91.91 22.93 3.93 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 123.55 0.74 . . . . 50.0 111.441 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt 55.59 23.43 6.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.395 1.078 . . . . 25.0 113.484 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.53 25.65 2.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.932 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.25 149.46 44.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.8 -1.091 . . . . 50.0 111.013 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.16 156.9 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 106.79 -1.559 . . . . 50.0 106.79 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -133.3 148.58 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.77 168.36 25.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.413 -1.699 . . . . 50.0 106.413 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.2 m -115.33 146.2 41.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.51 -0.552 . . . . 50.0 109.51 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.97 142.66 50.58 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.51 -0.552 . . . . 50.0 109.51 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -101.67 127.36 48.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.102 -1.444 . . . . 50.0 107.102 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -140.67 160.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.711 -0.477 . . . . 50.0 109.711 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.01 166.26 22.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.155 -1.054 . . . . 50.0 108.155 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.81 99.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 25.0 110.553 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -98.7 19.52 14.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.633 0.73 . . . . 50.0 111.51 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -60.74 133.1 55.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.6 . . . . 50.0 110.795 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.81 145.89 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.436 0.532 . . . . 50.0 112.436 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -37.0 82.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 173.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -57.55 -47.98 80.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.528 . . . . 50.0 110.604 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.0 -29.78 64.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.09 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.723 -0.61 . . . . 50.0 111.328 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -64.87 -41.73 95.42 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 109.108 -0.701 . . . . 50.0 109.108 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.14 93.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.364 -0.834 . . . . 25.0 110.812 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.61 -45.82 88.57 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.085 -0.384 . . . . 50.0 111.36 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.4 p -70.99 -25.46 62.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.068 -0.653 . . . . 50.0 111.447 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.77 -46.68 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.49 -45.4 83.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 50.0 112.282 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.63 -32.29 72.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.187 0.518 . . . . 50.0 111.829 -176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.4 t -88.37 -25.56 22.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.99 32.7 58.4 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.981 -0.628 . . . . 25.0 114.207 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.3 pt -128.6 151.78 77.48 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 122.489 -0.418 . . . . 50.0 109.901 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -68.15 133.69 29.43 Favored 'Trans proline' 0 C--O 1.24 0.6 0 C-N-CA 116.827 -1.648 . . . . 50.0 113.48 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.74 67.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.96 -0.462 . . . . 25.0 111.082 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.26 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.951 0.405 . . . . 25.0 111.824 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.12 9.87 41.55 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.068 0.461 . . . . 50.0 110.214 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.5 m -128.26 148.31 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.808 1.41 . . . . 50.0 114.808 -170.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -128.18 146.94 50.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.381 -1.34 . . . . 50.0 107.381 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -121.34 133.36 68.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.1 t -135.54 135.48 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 123.79 0.836 . . . . 50.0 110.701 -169.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -138.39 139.01 38.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.603 -1.629 . . . . 50.0 106.603 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 41.83 28.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.124 0.488 . . . . 25.0 110.537 -175.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.61 12.66 2.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.378 1.622 . . . . 50.0 115.378 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -122.08 141.4 34.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.576 -0.703 . . . . 25.0 110.785 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.9 147.25 92.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 116.561 -1.826 . . . . 50.0 113.504 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 57.6 mt -92.95 118.48 31.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.401 -1.333 . . . . 50.0 107.401 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.9 p -127.74 -25.15 3.15 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 117.427 2.38 . . . . 25.0 117.427 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -86.43 97.39 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.781 0.719 . . . . 25.0 110.231 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -63.88 -21.87 66.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -82.96 -20.01 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.23 0.538 . . . . 50.0 111.945 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -76.07 145.11 40.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.734 -0.386 . . . . 50.0 110.009 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.4 p -81.99 163.14 22.35 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.295 -1.002 . . . . 50.0 108.295 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.916 0.389 . . . . 50.0 111.323 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.21 71.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.258 -0.276 . . . . 25.0 110.695 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.0 m -69.47 -16.52 63.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.87 0.322 . . . . 50.0 111.87 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -99.97 -8.08 24.36 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.022 0.439 . . . . 50.0 109.92 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.39 19.46 56.87 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-O 119.074 -0.848 . . . . 25.0 113.694 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.94 83.4 1.23 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.332 1.066 . . . . 50.0 109.72 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.57 162.01 27.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.702 -0.681 . . . . 50.0 109.365 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -57.25 130.25 45.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.056 -0.72 . . . . 50.0 109.056 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.88 60.93 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.49 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -72.78 161.76 30.33 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 118.593 1.197 . . . . 50.0 111.288 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 31.0 t -123.11 131.01 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.403 0.62 . . . . 50.0 111.703 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.61 137.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.27 -1.011 . . . . 50.0 108.27 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.74 127.21 60.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.294 -1.002 . . . . 50.0 108.294 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.3 tt -114.69 133.97 55.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 105.478 -2.045 . . . . 50.0 105.478 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -126.98 121.1 30.74 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.95 -0.469 . . . . 50.0 109.843 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 123.847 1.784 . . . . 50.0 110.802 179.652 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.0 p80 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -133.36 163.8 28.52 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -110.44 120.92 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 50.0 111.075 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.85 144.04 43.68 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.594 -0.521 . . . . 50.0 109.594 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.59 137.22 34.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.08 128.58 73.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.347 -0.983 . . . . 50.0 108.347 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -121.07 107.29 12.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.45 ' HG ' ' HB3' ' A' ' 174' ' ' LEU . 79.1 m -99.0 132.82 44.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.806 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 134.7 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.516 -0.311 . . . . 50.0 111.283 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -113.5 154.83 26.42 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.404 -1.702 . . . . 50.0 106.404 171.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -62.9 -32.17 73.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.92 0.391 . . . . 25.0 109.984 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.24 18.35 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.606 1.162 . . . . 50.0 113.942 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.0 mt 59.46 26.67 15.66 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.68 25.69 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.418 0.628 . . . . 25.0 110.645 175.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.34 152.35 42.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.039 -0.982 . . . . 50.0 113.492 -171.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 p -151.84 152.78 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.562 -1.273 . . . . 50.0 107.562 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -135.21 141.88 45.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -155.96 -177.82 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.214 -1.402 . . . . 50.0 107.214 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.9 m -134.23 151.77 51.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.275 -0.265 . . . . 50.0 110.524 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.69 146.86 50.43 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.117 0.567 . . . . 50.0 110.275 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -105.94 121.82 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.47 -1.307 . . . . 50.0 107.47 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.48 164.51 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 122.831 0.452 . . . . 50.0 110.24 -173.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.24 157.96 32.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.18 70.7 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.531 -0.731 . . . . 25.0 109.539 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.75 4.6 46.88 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.714 -0.676 . . . . 50.0 112.466 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.23 131.23 48.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.861 -0.422 . . . . 50.0 109.861 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.01 150.52 47.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.074 -0.343 . . . . 50.0 110.074 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.33 -29.28 70.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.841 -0.344 . . . . 50.0 110.523 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.21 -39.7 93.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.544 . . . . 50.0 110.536 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.63 -36.3 57.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.769 0.795 . . . . 50.0 109.171 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -61.34 -45.59 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.95 -0.469 . . . . 50.0 111.752 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -66.47 -27.93 68.18 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.338 -0.545 . . . . 50.0 110.81 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.34 74.55 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.39 -37.37 85.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.99 -0.444 . . . . 50.0 109.947 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 73.5 m -63.98 -40.67 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.262 -0.273 . . . . 50.0 110.262 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.63 -40.15 93.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.96 -0.385 . . . . 25.0 109.96 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.96 -45.98 91.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.71 -35.64 67.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.075 0.464 . . . . 50.0 112.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.0 m -88.59 -25.5 22.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.746 1.387 . . . . 25.0 114.746 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.73 32.77 85.31 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.011 -0.614 . . . . 25.0 113.311 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.83 146.29 34.78 Favored Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 122.288 -0.537 . . . . 50.0 111.869 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.42 122.36 9.13 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 116.862 -1.625 . . . . 50.0 112.152 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.18 72.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 25.0 111.392 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.51 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -103.8 15.98 27.45 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.078 0.466 . . . . 50.0 110.658 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.8 p -133.66 163.27 29.82 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.881 1.437 . . . . 50.0 114.881 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -132.79 153.68 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.868 -1.53 . . . . 50.0 106.868 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -124.14 132.21 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.7 t -134.14 136.52 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.805 0.842 . . . . 50.0 110.71 -168.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -140.79 143.63 34.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.824 -1.547 . . . . 50.0 106.824 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.04 40.05 27.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.416 0.627 . . . . 25.0 110.732 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 58.24 17.66 4.8 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.002 1.482 . . . . 50.0 115.002 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -128.47 143.82 49.72 Favored Pre-proline 0 N--CA 1.468 0.459 0 O-C-N 121.755 -0.59 . . . . 25.0 110.699 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -71.61 145.67 47.42 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 116.332 -1.979 . . . . 50.0 112.319 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.4 mt -88.42 78.78 7.85 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.959 -1.126 . . . . 50.0 107.959 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 53.7 p -76.3 -29.74 57.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -172.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -94.69 101.62 13.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -84.88 -9.6 57.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -79.84 -16.78 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.593 0.711 . . . . 50.0 110.295 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 23.0 mtt85 -74.1 148.43 41.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.743 -0.662 . . . . 50.0 109.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -79.97 164.74 23.25 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.724 -0.843 . . . . 50.0 108.724 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.78 -38.89 86.84 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 121.267 0.556 . . . . 50.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.16 -30.24 66.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.017 -0.538 . . . . 25.0 112.251 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.7 t -70.98 -17.99 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.301 0.482 . . . . 50.0 112.301 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -101.05 -6.33 24.54 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.646 -0.501 . . . . 50.0 109.646 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.88 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.6 83.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.434 -0.58 . . . . 50.0 109.434 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -88.66 172.13 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.268 -0.878 . . . . 50.0 112.499 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 128.22 32.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.553 -0.749 . . . . 50.0 109.942 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.5 -15.81 58.38 Favored Glycine 0 CA--C 1.516 0.152 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.316 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.97 155.98 38.27 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 118.472 1.136 . . . . 50.0 111.076 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 43.1 t -118.09 127.66 75.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.374 -0.83 . . . . 50.0 109.541 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.2 t -108.76 133.03 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.498 -1.297 . . . . 50.0 107.498 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.86 125.86 64.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.056 -0.72 . . . . 50.0 109.056 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.45 ' HB3' ' HG ' ' A' ' 107' ' ' CYS . 8.3 tt -113.44 138.23 50.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.278 -1.379 . . . . 50.0 107.278 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.75 122.98 38.99 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 123.294 1.521 . . . . 50.0 110.653 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 105.514 -2.032 . . . . 25.0 105.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -126.32 172.88 9.75 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.036 -1.098 . . . . 50.0 108.036 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.1 tp -125.51 130.46 51.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.194 -0.669 . . . . 50.0 109.194 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -119.43 158.74 25.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.862 -1.162 . . . . 50.0 107.862 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -110.88 142.56 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.05 132.32 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.665 -1.235 . . . . 50.0 107.665 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -119.48 111.37 18.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.185 -1.042 . . . . 25.0 108.185 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.5 t -97.4 122.68 40.73 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.22 -1.03 . . . . 25.0 108.22 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.47 124.36 67.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-O 121.29 0.567 . . . . 50.0 111.62 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -105.42 147.1 28.62 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 105.915 -1.883 . . . . 50.0 105.915 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 -70.76 -19.55 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.774 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -92.22 27.46 2.19 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.902 -0.59 . . . . 50.0 112.152 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.3 mt 55.22 34.76 23.41 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 122.305 1.05 . . . . 25.0 112.967 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 25.76 10.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.504 -1.225 . . . . 25.0 111.429 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 -72.23 154.25 41.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.945 0.878 . . . . 50.0 112.608 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.26 152.44 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.478 -1.675 . . . . 50.0 106.478 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.0 t -136.65 146.63 46.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -156.43 173.66 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.6 -1.63 . . . . 50.0 106.6 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.0 m -121.13 150.96 40.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.674 -0.491 . . . . 50.0 109.674 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -129.1 142.21 50.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.269 -0.423 . . . . 50.0 109.872 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -100.65 127.04 47.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.995 -1.483 . . . . 50.0 106.995 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.19 161.11 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.186 -0.672 . . . . 50.0 109.186 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -77.37 161.31 28.13 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.26 -0.644 . . . . 50.0 109.26 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.53 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.475 0.655 . . . . 25.0 109.998 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.0 15.68 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.616 0.722 . . . . 50.0 111.631 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.88 132.03 46.08 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.774 -0.824 . . . . 50.0 108.774 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 147.13 53.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.695 0.283 . . . . 50.0 111.275 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.46 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.649 0.261 . . . . 50.0 110.789 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.892 0.377 . . . . 50.0 110.67 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -77.9 -32.44 51.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.507 -0.315 . . . . 50.0 110.599 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.34 -47.93 83.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.808 -0.558 . . . . 50.0 110.941 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -65.72 -27.86 68.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.396 -0.522 . . . . 50.0 111.579 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.54 74.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.092 0.472 . . . . 25.0 109.977 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.12 -38.6 88.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.65 -37.96 89.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.396 -0.366 . . . . 50.0 111.075 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.4 -50.36 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.674 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.11 -33.74 70.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.637 0.606 . . . . 50.0 112.637 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.1 t -89.17 -18.22 27.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.68 32.97 82.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 115.477 0.951 . . . . 25.0 115.477 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.6 pt -134.43 147.52 63.82 Favored Pre-proline 0 N--CA 1.469 0.504 0 CA-C-N 117.177 0.488 . . . . 50.0 110.769 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.61 119.53 6.65 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.217 -1.389 . . . . 50.0 112.524 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.47 -26.5 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.92 0.39 . . . . 25.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.37 67.86 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.055 -0.52 . . . . 25.0 112.246 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -98.13 14.83 26.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.91 0.386 . . . . 50.0 110.978 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.7 p -134.23 165.8 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.506 0.928 . . . . 50.0 113.506 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -131.13 148.91 52.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.2 -1.037 . . . . 50.0 108.2 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 tt -121.69 136.49 58.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.571 0.701 . . . . 25.0 109.917 -176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.8 p -139.72 143.96 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.499 -0.926 . . . . 50.0 108.499 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -141.17 134.79 30.07 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.136 -1.431 . . . . 50.0 107.136 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 45.29 24.6 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 123.472 0.483 . . . . 25.0 110.093 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 60.21 6.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.747 1.758 . . . . 50.0 115.747 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -116.05 133.31 22.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.99 149.25 46.54 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.875 -1.617 . . . . 50.0 113.855 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 75.8 mt -100.59 53.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.425 -0.954 . . . . 50.0 108.425 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -25.09 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.47 89.18 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.191 0.996 . . . . 25.0 108.432 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -70.9 -13.33 61.98 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -81.31 -14.71 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 50.0 111.415 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -76.89 152.92 35.19 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 120.834 0.349 . . . . 50.0 110.351 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 12.0 m -80.7 162.81 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.903 -0.777 . . . . 50.0 108.903 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.92 -38.3 87.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.45 0.643 . . . . 50.0 109.797 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.08 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.934 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m -69.37 -17.24 63.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.18 0.437 . . . . 50.0 112.18 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -101.75 -3.97 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 50.0 110.061 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.35 21.58 72.58 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.516 -0.634 . . . . 25.0 111.516 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.59 82.57 2.02 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 121.419 0.628 . . . . 50.0 109.504 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.16 171.05 14.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.948 -1.024 . . . . 50.0 111.371 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.69 129.59 37.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.22 -0.9 . . . . 50.0 111.141 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.56 -12.23 66.34 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 114.816 -1.084 . . . . 25.0 113.756 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -68.96 151.15 46.9 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 118.399 1.1 . . . . 50.0 110.499 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.68 129.31 72.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.421 -0.809 . . . . 50.0 109.531 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.07 154.97 7.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.339 -1.356 . . . . 50.0 107.339 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.3 mt -122.32 127.41 75.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.329 -1.36 . . . . 50.0 107.329 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -117.0 136.12 53.18 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.627 -1.62 . . . . 50.0 106.627 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -120.71 120.36 35.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.196 -0.298 . . . . 50.0 110.196 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--O 1.208 -1.122 0 CA-C-O 124.419 2.057 . . . . 50.0 111.236 179.281 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 p80 . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -142.93 156.89 44.97 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 108.742 -0.836 . . . . 50.0 108.742 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -110.46 125.85 53.72 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.871 -1.529 . . . . 50.0 106.871 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.34 158.39 24.49 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.313 -1.366 . . . . 50.0 107.313 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 m -108.77 134.54 51.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.394 -0.821 . . . . 25.0 109.249 173.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.3 t -122.58 122.45 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.946 0 N-CA-C 108.232 -1.025 . . . . 50.0 108.232 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.06 119.01 38.22 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.6 m -105.7 127.14 52.89 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 120.052 -1.655 . . . . 25.0 107.261 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.8 t -117.19 138.33 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.927 0.767 . . . . 50.0 112.028 -173.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -123.0 152.4 40.93 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.572 -1.27 . . . . 50.0 107.572 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.82 -31.21 71.43 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.29 25.94 1.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.622 . . . . 50.0 109.348 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 114' ' ' GLU . 50.9 mt 57.86 24.87 11.36 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.54 23.55 0.4 Allowed 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.052 0.941 . . . . 25.0 108.586 176.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 112' ' ' LEU . 10.8 pt-20 -71.56 155.12 40.91 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 126.132 1.773 . . . . 50.0 112.92 -171.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.91 140.73 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 106.061 -1.829 . . . . 50.0 106.061 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -124.28 147.77 47.87 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -155.26 175.19 14.17 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.47 -1.307 . . . . 50.0 107.47 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 m -120.99 147.55 45.34 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.716 1.376 . . . . 50.0 114.716 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.3 mt -124.08 148.43 47.11 Favored 'General case' 0 CA--C 1.472 -2.024 0 N-CA-C 109.309 -0.626 . . . . 50.0 109.309 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -98.48 130.88 45.08 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 106.256 -1.757 . . . . 50.0 106.256 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.98 161.52 35.65 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-O 121.742 0.782 . . . . 50.0 112.412 174.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -83.36 161.41 21.39 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.23 -1.026 . . . . 50.0 108.23 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.41 -32.79 74.56 Favored 'General case' 0 C--O 1.199 -1.56 0 O-C-N 121.543 -0.723 . . . . 25.0 111.243 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.36 17.82 10.7 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.645 0.778 . . . . 50.0 112.659 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -75.45 134.5 40.84 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 120.147 -0.621 . . . . 50.0 110.175 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -75.91 156.32 34.37 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.446 1.593 . . . . 50.0 111.695 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.46 -28.99 67.53 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . 0.404 ' HB2' HD21 ' A' ' 157' ' ' ASN . 80.0 t60 -64.34 -47.67 78.49 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.687 1.867 . . . . 50.0 111.564 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -70.45 -37.34 74.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.584 -1.189 . . . . 50.0 107.812 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.29 -49.61 76.94 Favored 'General case' 0 C--O 1.203 -1.369 0 N-CA-C 114.34 1.237 . . . . 50.0 114.34 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -62.75 -28.89 70.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.687 -1.149 . . . . 50.0 111.873 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.14 74.66 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -66.7 -40.39 88.45 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 114.935 -1.03 . . . . 50.0 112.841 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.0 p -74.29 -27.31 60.67 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 120.304 -1.497 . . . . 50.0 111.424 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.48 -43.16 86.16 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.18 -46.6 88.22 Favored 'General case' 0 CA--C 1.482 -1.672 0 C-N-CA 123.761 0.824 . . . . 50.0 111.317 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.98 -39.76 87.26 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.27 0.557 . . . . 50.0 112.428 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.5 t -88.42 -18.71 27.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.14 32.32 58.54 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 116.426 1.33 . . . . 25.0 116.426 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.0 pt -104.66 153.97 38.84 Favored Pre-proline 0 N--CA 1.492 1.64 0 N-CA-C 116.717 2.118 . . . . 50.0 116.717 -170.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.93 122.5 9.62 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 115.928 -2.248 . . . . 50.0 110.093 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.19 -26.59 68.43 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.771 -0.58 . . . . 25.0 112.111 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.44 52.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -101.2 18.49 19.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.762 1.289 . . . . 50.0 111.275 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 m -137.95 160.41 39.39 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-O 123.598 1.666 . . . . 50.0 112.901 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -132.8 153.34 51.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 126.346 1.858 . . . . 50.0 106.36 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -128.93 133.63 65.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 O-C-N 121.566 -0.709 . . . . 25.0 110.039 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.6 t -135.96 140.09 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.166 0.986 . . . . 50.0 110.556 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.49 141.96 41.51 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.62 37.91 21.15 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.575 1.179 . . . . 25.0 110.991 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.14 5.11 2.85 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 114.968 1.47 . . . . 50.0 114.968 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -112.37 142.77 27.58 Favored Pre-proline 0 C--O 1.255 1.345 0 O-C-N 121.068 -1.02 . . . . 25.0 109.42 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.47 144.7 56.45 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.452 0.768 . . . . 50.0 112.53 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.09 94.97 7.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.464 -0.789 . . . . 50.0 110.663 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.7 p -110.96 -30.79 7.37 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 116.879 2.178 . . . . 25.0 116.879 -172.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.03 88.16 5.39 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . 0.404 HD21 ' HB2' ' A' ' 128' ' ' HIS . 5.4 p-10 -66.8 -16.47 64.29 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 116.102 1.89 . . . . 25.0 116.102 -172.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -83.47 -18.42 38.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.256 1.503 . . . . 50.0 114.892 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -74.01 148.18 42.26 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.029 -1.441 . . . . 50.0 111.016 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 51.1 m -77.75 151.04 34.28 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 113.799 -1.546 . . . . 50.0 109.083 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.97 -34.91 79.19 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.795 0.807 . . . . 50.0 111.617 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.02 -27.06 65.09 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.736 -1.12 . . . . 25.0 110.204 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -16.42 60.31 Favored 'General case' 0 CA--C 1.553 1.095 0 O-C-N 121.455 -0.778 . . . . 50.0 111.547 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.47 -2.01 57.91 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.712 -0.618 . . . . 50.0 109.904 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 71.26 22.39 78.54 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 110.141 -1.184 . . . . 25.0 110.141 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.05 92.13 0.93 Allowed 'General case' 0 C--O 1.248 1.023 0 N-CA-C 108.39 -0.967 . . . . 50.0 108.39 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -99.03 168.62 9.97 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.112 1.507 . . . . 50.0 111.183 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.82 119.57 4.76 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.478 -0.783 . . . . 50.0 112.477 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 105.83 -5.81 40.24 Favored Glycine 0 C--O 1.207 -1.592 0 CA-C-N 115.956 -0.566 . . . . 25.0 113.676 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -74.41 150.44 39.99 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 125.405 2.526 . . . . 50.0 111.256 173.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.3 128.05 72.65 Favored 'Isoleucine or valine' 0 C--O 1.256 1.435 0 CA-C-N 113.0 -1.909 . . . . 50.0 108.643 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.7 t -111.21 130.36 64.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 106.065 -1.828 . . . . 50.0 106.065 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.23 129.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 122.102 0.954 . . . . 50.0 108.61 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.23 136.84 52.78 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 105.558 -2.016 . . . . 50.0 105.558 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -119.42 108.97 15.21 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.827 0.822 . . . . 50.0 109.203 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 122.233 1.016 . . . . 50.0 109.375 177.659 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 . . . . . 0 CA--C 1.511 -0.525 0 N-CA-C 106.352 -1.722 . . . . 25.0 106.352 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.9 167.31 30.14 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.271 0.357 . . . . 50.0 110.092 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.0 tp -109.01 133.12 53.41 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.225 0.61 . . . . 50.0 109.637 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.8 mt -122.93 146.08 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.752 -1.203 . . . . 50.0 107.752 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.2 m -104.88 135.49 46.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.226 -1.028 . . . . 25.0 108.226 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.0 129.17 73.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.422 -0.585 . . . . 50.0 109.422 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.23 122.26 46.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.42 116.61 32.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.16 116.66 45.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 50.0 110.662 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -92.73 146.3 23.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.566 -1.642 . . . . 50.0 106.566 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -61.68 -29.6 70.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.497 0.665 . . . . 25.0 110.345 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.31 13.75 4.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.787 -1.097 . . . . 50.0 113.167 -176.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.0 mt 58.66 27.89 16.45 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 122.293 1.044 . . . . 25.0 112.141 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 m -90.33 25.71 2.15 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.575 -1.193 . . . . 25.0 109.728 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.39 155.54 40.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.067 -0.969 . . . . 50.0 112.919 -166.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.43 157.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 107.554 -1.276 . . . . 50.0 107.554 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -140.3 150.17 43.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 174.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -157.85 174.42 15.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.936 -1.876 . . . . 50.0 105.936 -176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.49 149.0 52.36 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.138 -1.06 . . . . 50.0 108.138 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.93 147.15 49.57 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.851 -0.425 . . . . 50.0 109.851 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -104.75 124.45 49.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.343 -1.355 . . . . 50.0 107.343 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.9 m -143.0 165.39 15.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.947 -0.569 . . . . 50.0 109.778 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -79.26 152.69 30.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.827 -1.546 . . . . 50.0 106.827 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.0 74.17 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.709 0.766 . . . . 25.0 109.836 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -93.08 9.93 33.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 50.0 112.385 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.39 137.92 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 50.0 109.244 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.59 144.14 55.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.36 -0.213 . . . . 50.0 111.279 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.5 -32.49 73.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.114 -1.069 . . . . 50.0 108.114 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -54.95 -48.27 73.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 50.0 111.56 175.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -77.9 -31.01 50.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.803 0.335 . . . . 50.0 111.035 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.83 -0.544 . . . . 50.0 111.59 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -66.6 -27.98 68.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.098 -0.641 . . . . 50.0 110.135 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.06 -38.8 69.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 110.182 -0.303 . . . . 25.0 110.182 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.58 -41.0 96.55 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.138 -0.69 . . . . 50.0 109.138 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.102 -0.499 . . . . 50.0 110.758 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.87 -44.62 96.44 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.835 0.454 . . . . 25.0 109.874 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.65 -47.28 76.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.571 0.582 . . . . 50.0 112.571 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -71.29 -35.82 71.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 50.0 111.63 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.2 t -82.12 -29.79 31.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.348 . . . . 25.0 111.889 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.11 83.84 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.728 -0.749 . . . . 25.0 113.582 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 29.4 pt -124.05 140.24 34.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.626 -0.879 . . . . 50.0 108.626 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -63.37 134.01 43.02 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 116.942 -1.572 . . . . 50.0 115.324 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.91 68.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.44 -24.69 66.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.868 -0.605 . . . . 25.0 112.436 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.3 10.25 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.901 0.382 . . . . 50.0 111.161 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.0 p -142.56 173.49 11.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.152 0.501 . . . . 50.0 111.797 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -127.47 135.9 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.842 -0.429 . . . . 50.0 109.842 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -102.07 132.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.1 t -135.96 136.18 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.118 0.567 . . . . 50.0 111.241 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -143.86 143.44 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.02 -1.474 . . . . 50.0 107.02 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.58 42.09 29.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.202 0.601 . . . . 25.0 111.212 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 59.31 16.95 5.4 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.682 1.364 . . . . 50.0 114.682 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -126.49 136.96 29.42 Favored Pre-proline 0 N--CA 1.467 0.416 0 O-C-N 121.835 -0.541 . . . . 25.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.22 146.27 45.53 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 115.532 -2.512 . . . . 50.0 111.473 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 72.8 mt -93.1 81.91 4.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.64 -0.874 . . . . 50.0 108.64 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.3 p -97.87 -19.76 17.92 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.75 1.018 . . . . 25.0 113.75 -173.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -85.57 97.32 10.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -73.83 -18.41 60.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -81.51 -13.46 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 50.0 111.456 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -75.47 146.59 40.52 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 120.897 0.379 . . . . 50.0 110.71 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -81.71 165.36 21.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.035 -1.469 . . . . 50.0 107.035 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.19 -36.37 83.85 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.001 -0.437 . . . . 50.0 110.718 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.12 69.66 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.129 -0.357 . . . . 25.0 111.403 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.1 m -71.27 -16.55 62.48 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.079 0.4 . . . . 50.0 112.079 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -97.46 -10.46 25.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.736 0.303 . . . . 50.0 110.316 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.34 20.41 60.49 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 111.247 -0.741 . . . . 25.0 111.247 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.34 83.81 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.228 -0.656 . . . . 50.0 109.228 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.29 167.44 18.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.923 -1.035 . . . . 50.0 111.994 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.1 128.11 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.624 -0.717 . . . . 50.0 110.664 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.69 -10.73 68.63 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.577 -0.738 . . . . 25.0 114.364 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.26 149.53 50.2 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 118.312 1.056 . . . . 50.0 111.206 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.3 t -112.68 126.86 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.171 -0.922 . . . . 50.0 110.338 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.52 139.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.839 -1.171 . . . . 50.0 107.839 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.5 mt -118.08 118.42 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.37 0.605 . . . . 50.0 109.702 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 4.9 tt -101.93 138.33 39.04 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.61 -1.626 . . . . 50.0 106.61 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -126.95 122.37 34.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.065 -0.397 . . . . 50.0 110.981 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 124.267 1.984 . . . . 50.0 110.593 176.47 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -123.24 163.84 19.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.864 -1.161 . . . . 50.0 107.864 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.4 tp -124.46 127.21 47.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.262 -1.755 . . . . 50.0 106.262 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.7 mt -120.77 143.44 48.81 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -97.72 143.54 28.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.672 -1.233 . . . . 25.0 107.672 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.12 125.64 69.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 106.882 -1.525 . . . . 50.0 106.882 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -112.15 108.17 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -100.29 117.52 34.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.246 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.0 t -106.02 131.33 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.907 0.384 . . . . 50.0 110.22 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -120.02 146.53 45.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 106.06 -1.829 . . . . 50.0 106.06 174.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -62.84 -23.32 67.23 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -92.25 30.22 1.51 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.056 0.455 . . . . 50.0 112.018 -176.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt 54.28 25.2 5.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.214 1.006 . . . . 25.0 112.286 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 m -92.02 25.49 2.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.094 -0.957 . . . . 25.0 109.724 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.32 154.69 40.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 50.0 111.883 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.8 p -152.6 155.62 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 106.983 -1.488 . . . . 50.0 106.983 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.5 t -137.0 147.37 46.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -155.53 175.67 13.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.758 -1.571 . . . . 50.0 106.758 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.2 m -129.42 148.81 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.793 -0.447 . . . . 50.0 109.793 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.45 148.6 49.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.143 -0.48 . . . . 50.0 109.915 -177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -99.29 129.4 45.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.527 -1.286 . . . . 50.0 107.527 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.67 166.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.961 -0.563 . . . . 50.0 110.367 -173.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.77 166.72 14.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.337 -0.616 . . . . 50.0 109.337 174.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.95 94.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.136 -0.353 . . . . 25.0 111.204 176.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -101.65 19.51 17.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.838 0.828 . . . . 50.0 111.657 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -59.97 128.55 37.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.632 -0.713 . . . . 50.0 109.648 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.43 142.37 57.6 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.563 -0.162 . . . . 50.0 110.563 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.07 -29.64 70.54 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.912 -0.315 . . . . 50.0 110.198 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . 0.406 ' HB2' HD21 ' A' ' 157' ' ' ASN . 80.5 t60 -59.39 -41.67 89.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.078 0.466 . . . . 50.0 110.303 175.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -75.8 -40.18 55.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.264 0.554 . . . . 50.0 109.854 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.9 -47.07 88.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.285 0.476 . . . . 50.0 112.285 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -67.14 -27.9 67.69 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.324 -0.55 . . . . 50.0 111.145 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -39.89 70.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.92 -39.45 94.6 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.636 -0.505 . . . . 50.0 109.636 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.1 m -62.82 -42.8 99.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.881 -0.327 . . . . 50.0 110.392 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.74 -41.69 98.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.735 0.302 . . . . 25.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.87 -46.1 90.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 50.0 111.745 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.63 -33.4 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.387 0.613 . . . . 50.0 111.123 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.5 m -81.86 -26.88 33.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.885 1.069 . . . . 25.0 113.885 -177.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.98 31.98 81.18 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.419 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.08 148.47 42.4 Favored Pre-proline 0 C--O 1.219 -0.535 0 O-C-N 122.401 -0.47 . . . . 50.0 110.463 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.31 125.99 11.86 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 116.455 -1.897 . . . . 50.0 112.555 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.01 -24.57 67.12 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.862 -0.524 . . . . 25.0 111.565 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.7 -25.31 66.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.727 0.299 . . . . 25.0 111.678 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -106.16 13.77 28.53 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 122.616 0.366 . . . . 50.0 110.917 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -137.74 153.75 49.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.798 1.777 . . . . 50.0 115.798 -170.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -131.87 154.39 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.082 -1.081 . . . . 50.0 108.082 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -128.03 137.98 55.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.63 146.28 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.798 -0.637 . . . . 50.0 109.602 -171.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.052 -1.092 . . . . 50.0 108.052 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.31 42.13 25.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.061 0.458 . . . . 25.0 110.836 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 60.82 10.65 2.81 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.929 1.455 . . . . 50.0 114.929 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -113.46 134.19 22.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.01 150.66 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.402 -2.599 . . . . 50.0 112.053 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.14 54.28 2.75 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.346 -0.983 . . . . 50.0 108.346 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -22.2 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.821 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.25 76.76 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.296 -1.372 . . . . 25.0 107.296 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . 0.406 HD21 ' HB2' ' A' ' 128' ' ' HIS . 4.4 p-10 -70.1 -9.42 55.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 -175.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -98.33 32.29 2.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.006 0.907 . . . . 50.0 110.068 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -129.38 152.83 48.51 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.109 -1.812 . . . . 50.0 106.109 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.2 p -84.97 167.58 15.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.113 0.482 . . . . 50.0 110.083 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.16 -34.65 75.38 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.465 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.62 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.299 -0.409 . . . . 25.0 111.217 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 31.8 t -71.09 -17.27 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.673 0.62 . . . . 50.0 112.673 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -99.75 -6.77 26.48 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.017 -0.364 . . . . 50.0 110.017 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.71 25.49 69.68 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 110.155 -1.178 . . . . 25.0 110.155 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.51 81.19 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.758 0.79 . . . . 50.0 109.361 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -76.5 160.39 29.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.408 -1.269 . . . . 50.0 112.251 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.75 121.98 9.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.032 -0.985 . . . . 50.0 108.91 171.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.24 -20.59 28.03 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.811 -0.631 . . . . 25.0 113.952 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.07 160.69 32.43 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 117.872 0.836 . . . . 50.0 111.645 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -128.1 138.6 54.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.406 -0.815 . . . . 50.0 110.173 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.5 m -112.14 159.2 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.757 -1.201 . . . . 50.0 107.757 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -120.59 129.24 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.433 -0.951 . . . . 50.0 108.433 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.5 tt -115.92 134.43 54.99 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 105.996 -1.853 . . . . 50.0 105.996 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.01 117.38 22.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.832 0.348 . . . . 50.0 110.719 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 123.966 1.841 . . . . 50.0 111.266 179.186 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 100.483 -3.895 . . . . 25.0 100.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -121.23 140.36 52.15 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.174 -1.788 . . . . 50.0 106.174 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.9 122.08 46.08 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.668 -1.234 . . . . 50.0 107.668 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 mt -124.72 150.42 46.21 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.917 -0.401 . . . . 50.0 109.917 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -101.73 142.76 32.57 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.07 121.24 60.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 107.352 -1.351 . . . . 50.0 107.352 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -100.61 112.85 25.3 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.7 t -98.79 116.58 31.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.81 0.338 . . . . 25.0 110.334 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -93.91 112.53 26.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-O 121.36 0.6 . . . . 50.0 109.925 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -93.72 139.7 30.52 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.917 -1.512 . . . . 50.0 106.917 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.17 -28.47 69.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.167 0.508 . . . . 25.0 112.245 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.84 18.32 2.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.638 -0.71 . . . . 50.0 112.501 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.0 mt 58.48 27.0 14.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.513 1.125 . . . . 25.0 111.597 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.1 m -91.82 25.9 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.431 -1.259 . . . . 25.0 109.055 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.18 149.28 44.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.242 -0.89 . . . . 50.0 111.563 -169.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.87 161.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.119 -1.067 . . . . 50.0 108.119 -166.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.3 t -128.97 145.79 51.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -152.67 171.85 17.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.402 -1.703 . . . . 50.0 106.402 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -129.21 150.38 50.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.324 0.511 . . . . 50.0 110.941 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.4 mt -133.73 149.8 51.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 50.0 111.229 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -102.36 129.05 48.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.795 -1.187 . . . . 50.0 107.795 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.49 164.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.358 -0.608 . . . . 50.0 109.358 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -84.15 166.67 17.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.559 -0.904 . . . . 50.0 108.559 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.21 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.014 -0.429 . . . . 25.0 110.918 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -96.63 13.24 28.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.479 0.657 . . . . 50.0 111.116 -175.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.52 132.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 50.0 109.395 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.0 152.08 37.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.481 0.181 . . . . 50.0 111.28 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.3 -27.82 68.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.369 -0.604 . . . . 50.0 109.369 170.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.52 -41.75 86.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 50.0 110.387 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -81.16 -34.01 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.323 -0.399 . . . . 50.0 111.439 177.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.64 -42.07 99.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.933 0.716 . . . . 50.0 112.933 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -61.83 -33.89 74.97 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 120.598 -0.441 . . . . 50.0 110.957 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.85 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.353 0.597 . . . . 25.0 109.509 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.1 -41.31 99.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.961 -0.563 . . . . 50.0 110.682 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 22.2 p -77.17 -25.19 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.825 -0.547 . . . . 50.0 111.869 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.53 -39.61 91.97 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.12 -45.41 92.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.319 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.09 -42.59 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.155 0.502 . . . . 50.0 111.864 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.6 t -85.27 -15.93 41.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.58 25.73 71.6 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 121.166 -0.54 . . . . 25.0 114.228 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 4.0 pt -137.22 141.92 36.0 Favored Pre-proline 0 N--CA 1.469 0.496 0 N-CA-C 109.068 -0.715 . . . . 50.0 109.068 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.98 140.26 65.28 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 116.29 -2.007 . . . . 50.0 114.203 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -25.98 68.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.844 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.08 62.91 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.969 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.15 17.26 17.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.311 0.577 . . . . 50.0 110.383 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -146.16 177.38 9.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.794 -0.447 . . . . 50.0 109.794 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -134.39 158.0 44.96 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.037 -1.097 . . . . 50.0 108.037 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -125.69 138.25 55.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.15 140.03 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.787 -1.19 . . . . 50.0 107.787 -177.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -141.78 134.43 28.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.424 -1.324 . . . . 50.0 107.424 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 40.65 27.25 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.004 0.522 . . . . 25.0 109.973 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 59.61 7.0 0.92 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.43 1.641 . . . . 50.0 115.43 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -105.57 132.88 20.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 121.679 -0.638 . . . . 25.0 109.874 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.67 149.95 61.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 115.95 -2.233 . . . . 50.0 110.722 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.55 114.48 28.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.284 -0.636 . . . . 50.0 109.284 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.3 p -114.98 -33.82 5.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -83.49 72.66 10.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.932 0.873 . . . . 25.0 109.238 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -66.7 -13.44 61.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.128 -0.942 . . . . 25.0 113.53 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -72.19 -15.82 61.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.564 0.697 . . . . 50.0 110.728 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.21 148.72 24.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.419 -0.801 . . . . 50.0 110.201 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.5 p -75.6 160.98 29.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.725 . . . . 50.0 109.423 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.95 -29.89 70.37 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.11 0.481 . . . . 50.0 111.186 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.38 70.32 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.093 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.3 t -69.8 -16.48 63.29 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.011 0.375 . . . . 50.0 112.011 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -101.66 -4.86 25.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.881 -0.414 . . . . 50.0 109.881 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.98 66.49 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.964 -0.855 . . . . 25.0 110.964 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.41 79.2 2.46 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.682 0.754 . . . . 50.0 110.293 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.79 157.7 36.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.849 -1.069 . . . . 50.0 112.341 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.29 130.33 44.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.975 -1.011 . . . . 50.0 108.759 171.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.88 -17.39 49.17 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.349 -0.842 . . . . 25.0 113.27 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -79.75 169.6 17.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 117.91 0.855 . . . . 50.0 112.012 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.6 p -133.93 142.21 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 120.958 0.408 . . . . 50.0 111.595 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.84 160.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 107.465 -1.309 . . . . 50.0 107.465 175.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 86.9 mt -122.08 125.29 72.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.307 -0.997 . . . . 50.0 108.307 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -106.79 132.44 52.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 106.257 -1.756 . . . . 50.0 106.257 176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -118.22 113.01 20.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.177 0.513 . . . . 50.0 109.996 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 123.782 1.753 . . . . 50.0 111.894 179.054 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.334 0 N-CA-C 105.567 -2.012 . . . . 25.0 105.567 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -120.76 166.96 13.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 123.125 0.57 . . . . 50.0 111.443 -172.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.3 tp -117.86 131.79 56.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.266 -1.013 . . . . 50.0 108.266 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.0 mt -123.66 156.98 34.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.902 -1.147 . . . . 50.0 107.902 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.0 m -111.15 138.78 47.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.67 127.62 72.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.262 -1.014 . . . . 50.0 108.262 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -110.11 114.14 27.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.91 121.37 41.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.82 131.74 54.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.104 0.478 . . . . 50.0 110.861 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -123.12 143.7 49.82 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.388 -0.967 . . . . 50.0 108.388 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -65.48 -23.41 66.9 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.957 0.355 . . . . 25.0 111.957 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -88.54 25.66 1.65 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.161 0.505 . . . . 50.0 110.988 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt 52.42 29.79 7.4 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.444 1.098 . . . . 25.0 113.431 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.12 21.31 5.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.405 -0.816 . . . . 25.0 110.158 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -72.47 148.0 45.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.556 -0.747 . . . . 50.0 111.321 -170.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -155.05 160.48 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.18 -1.415 . . . . 50.0 107.18 -171.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -133.45 147.77 51.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -152.35 171.1 18.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.101 -1.814 . . . . 50.0 106.101 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.5 p -123.55 145.63 48.73 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.766 -0.457 . . . . 50.0 109.766 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.5 mt -121.84 144.64 48.71 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.917 -0.771 . . . . 50.0 108.917 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -113.62 118.67 35.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.577 -1.268 . . . . 50.0 107.577 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -144.52 163.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.581 -0.896 . . . . 50.0 108.581 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -79.56 166.68 21.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.714 -0.476 . . . . 50.0 109.714 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.32 94.14 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.65 0.262 . . . . 25.0 110.627 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -90.79 11.97 20.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.515 0.674 . . . . 50.0 112.724 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.84 130.71 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.346 -0.983 . . . . 50.0 108.346 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.27 148.98 46.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.95 0.405 . . . . 50.0 111.483 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 157' ' ' ASN . 0.2 OUTLIER -60.91 -35.62 77.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 50.0 109.967 175.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -35.74 76.15 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 121.031 -0.268 . . . . 50.0 110.597 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.84 -38.02 23.6 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.506 0.669 . . . . 50.0 109.991 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.54 -46.1 91.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.994 -0.441 . . . . 50.0 112.003 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -27.92 68.42 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.298 -0.561 . . . . 50.0 110.481 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.88 71.43 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.24 -41.0 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 50.0 110.368 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 12.0 p -73.17 -25.36 60.77 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.185 -0.606 . . . . 50.0 111.183 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.84 -40.59 91.89 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.882 -0.785 . . . . 25.0 108.882 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.92 -45.91 90.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 50.0 111.507 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -35.66 76.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.162 0.506 . . . . 50.0 111.531 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 45.0 m -79.94 -23.86 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.67 22.63 73.61 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.765 0.666 . . . . 25.0 114.765 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 33.9 pt -135.4 150.4 72.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 117.088 0.444 . . . . 50.0 110.582 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.0 127.02 16.11 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.499 -1.868 . . . . 50.0 113.358 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.32 -24.67 66.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.353 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.34 70.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -105.64 16.61 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.242 1.02 . . . . 50.0 109.294 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -126.61 178.03 6.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.992 -1.004 . . . . 50.0 109.076 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -134.32 147.31 50.55 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.815 -1.179 . . . . 50.0 107.815 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.24 134.12 67.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.0 -1.481 . . . . 25.0 107.0 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 63.3 t -136.15 137.75 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 123.381 0.673 . . . . 50.0 110.569 -170.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -141.11 141.03 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.172 -1.418 . . . . 50.0 107.172 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.91 44.45 25.31 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.834 0.454 . . . . 25.0 111.396 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.41 16.24 4.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.962 1.467 . . . . 50.0 114.962 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -123.84 141.27 36.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.2 145.87 50.03 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 115.099 -2.8 . . . . 50.0 111.129 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 21.6 mt -92.02 91.19 7.72 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.134 -1.062 . . . . 50.0 108.134 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -110.47 -34.52 6.3 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.233 1.938 . . . . 25.0 116.233 -172.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -80.82 89.97 5.85 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 2.3 p-10 -68.89 -12.0 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 -171.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -76.95 -8.08 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.786 0.679 . . . . 50.0 112.309 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.35 150.66 22.46 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 110.008 -0.368 . . . . 50.0 110.008 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.0 p -82.31 164.48 21.09 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.699 -1.223 . . . . 50.0 107.699 169.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.71 -34.31 77.91 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 122.012 -0.43 . . . . 50.0 111.58 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.9 -30.16 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 25.0 111.046 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.2 m -70.2 -16.46 63.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.931 0.345 . . . . 50.0 111.931 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -100.25 -10.41 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 109.937 -0.394 . . . . 50.0 109.937 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 89.45 20.15 46.12 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-O 119.647 -0.529 . . . . 25.0 113.926 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.5 87.75 0.32 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 117.889 0.845 . . . . 50.0 110.552 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.72 162.02 25.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.138 0.494 . . . . 50.0 110.569 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -57.98 131.06 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.543 0.687 . . . . 50.0 109.69 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.67 -11.37 66.53 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 115.192 -0.913 . . . . 25.0 114.406 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.96 153.69 39.79 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 118.608 1.204 . . . . 50.0 111.916 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.9 t -115.44 129.29 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 50.0 111.003 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.73 142.53 21.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.117 -1.438 . . . . 50.0 107.117 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.7 mt -116.65 123.8 72.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.416 0.627 . . . . 50.0 109.372 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.85 135.97 44.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.609 -1.997 . . . . 50.0 105.609 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 39.0 mtp-105 -135.77 106.52 6.57 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.837 -0.539 . . . . 50.0 112.046 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 124.977 2.322 . . . . 50.0 111.181 177.612 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 . . . . . 0 C--O 1.236 0.392 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -145.94 163.89 33.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.756 -1.202 . . . . 50.0 107.756 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.4 tp -112.45 133.25 54.63 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 122.317 0.247 . . . . 50.0 110.58 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -125.03 155.84 39.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.188 -1.042 . . . . 50.0 108.188 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -108.75 135.32 50.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.77 127.79 72.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.311 -0.625 . . . . 50.0 109.311 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -113.59 112.38 23.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.027 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -96.7 131.23 43.59 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.4 t -124.66 131.54 72.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 120.807 0.337 . . . . 50.0 111.194 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.72 147.53 45.79 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 107.732 -1.21 . . . . 50.0 107.732 173.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -65.17 -16.98 64.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.134 0.492 . . . . 25.0 111.526 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.78 15.77 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.811 -1.086 . . . . 50.0 111.661 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt 57.88 24.83 11.34 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.116 1.154 . . . . 25.0 114.116 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.95 25.84 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.801 0.81 . . . . 25.0 109.2 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -72.2 145.82 47.76 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.845 -1.071 . . . . 50.0 109.905 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.4 p -152.78 144.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.247 -1.02 . . . . 50.0 108.247 -174.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.5 t -123.48 141.87 51.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -153.26 173.93 14.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.097 -1.816 . . . . 50.0 106.097 -175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.7 p -123.71 155.27 38.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.838 -0.801 . . . . 50.0 108.838 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -131.0 140.45 50.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.064 0.459 . . . . 50.0 109.983 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -101.32 113.63 26.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.06 -1.459 . . . . 50.0 107.06 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.59 165.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 122.556 0.342 . . . . 50.0 111.342 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -79.07 160.28 27.16 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.203 -1.036 . . . . 50.0 108.203 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.77 78.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.64 16.27 10.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.724 0.773 . . . . 50.0 112.168 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -67.85 128.05 35.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 50.0 109.861 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.02 143.22 58.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.965 -0.561 . . . . 50.0 110.804 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -29.38 70.48 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.08 0.467 . . . . 50.0 109.942 176.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -59.48 -43.19 93.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 50.0 110.73 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.58 -32.62 53.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.797 -0.564 . . . . 50.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.45 -43.26 99.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.239 0.459 . . . . 50.0 112.239 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -27.66 67.55 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.475 -0.49 . . . . 50.0 110.688 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.35 67.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 117.999 0.363 . . . . 25.0 110.074 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.11 -38.18 87.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.36 -42.82 99.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.258 -0.428 . . . . 50.0 110.341 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.36 -40.96 92.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 25.0 110.613 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.46 -46.13 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 50.0 111.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -71.65 -40.02 69.96 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.254 0.55 . . . . 50.0 112.466 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.2 p -82.58 -24.11 34.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.61 21.26 76.23 Favored Glycine 0 CA--C 1.515 0.082 0 C-N-CA 121.107 -0.568 . . . . 25.0 114.327 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.76 146.47 50.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.579 -0.526 . . . . 50.0 109.579 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -62.85 119.13 6.08 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 117.057 -1.495 . . . . 50.0 113.752 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.46 -24.32 67.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 25.0 109.989 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.18 -24.57 67.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.945 -0.57 . . . . 25.0 112.537 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.86 14.84 27.49 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 120.772 0.32 . . . . 50.0 111.409 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.0 p -133.88 165.29 25.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 115.515 1.672 . . . . 50.0 115.515 -173.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -125.17 149.99 47.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 107.0 -1.482 . . . . 50.0 107.0 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -121.62 136.15 59.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.601 -0.889 . . . . 25.0 108.601 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.97 136.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 124.028 0.931 . . . . 50.0 110.665 -168.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -141.2 143.56 34.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.361 -1.718 . . . . 50.0 106.361 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.61 45.24 27.02 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.458 0.647 . . . . 25.0 111.211 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 60.37 7.36 1.28 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.809 1.781 . . . . 50.0 115.809 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -124.38 145.89 50.29 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.479 -0.763 . . . . 25.0 111.924 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.67 148.85 53.87 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 115.182 -2.746 . . . . 50.0 112.072 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.86 122.59 33.7 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 105.211 -2.144 . . . . 50.0 105.211 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 43.1 p -113.06 -43.51 3.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -82.28 101.33 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -76.04 -10.77 59.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.627 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -90.4 32.27 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.099 0.874 . . . . 50.0 111.95 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -134.13 142.2 47.39 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.243 -1.391 . . . . 50.0 107.243 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -77.46 163.38 26.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.055 0.455 . . . . 50.0 110.702 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.18 -39.75 83.52 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 121.443 0.64 . . . . 50.0 111.197 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.98 68.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.821 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m -72.7 -18.51 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.867 0.321 . . . . 50.0 111.867 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.53 -6.84 26.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.26 20.5 56.97 Favored Glycine 0 C--O 1.226 -0.393 0 C-N-CA 121.177 -0.535 . . . . 25.0 114.093 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 90.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.809 0.804 . . . . 50.0 110.499 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -80.69 162.05 24.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 50.0 111.011 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.92 129.14 36.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.927 -0.579 . . . . 50.0 110.033 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.52 -10.1 66.87 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-O 119.302 -0.721 . . . . 25.0 114.415 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.13 153.8 42.79 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 118.418 1.109 . . . . 50.0 110.989 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.03 130.67 67.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.544 -0.753 . . . . 50.0 110.871 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.19 137.75 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.42 -1.326 . . . . 50.0 107.42 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.92 131.2 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.847 -0.797 . . . . 50.0 108.847 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.9 tt -121.08 137.75 54.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 50.0 108.655 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.04 123.91 41.94 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 122.148 -0.345 . . . . 50.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 124.395 2.045 . . . . 50.0 110.688 178.09 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.3 p80 . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -111.86 -179.66 3.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 122.816 0.446 . . . . 50.0 110.144 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.0 tp -133.64 133.15 41.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.967 -1.123 . . . . 50.0 107.967 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.1 153.75 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.274 -0.639 . . . . 50.0 109.274 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -102.29 140.65 36.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.62 131.63 72.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.271 -1.381 . . . . 50.0 107.271 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -120.77 109.29 14.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -93.98 134.51 36.3 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.2 t -130.04 130.97 66.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.137 0.494 . . . . 50.0 112.065 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -132.95 144.44 50.13 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 105.199 -2.148 . . . . 50.0 105.199 171.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.69 -10.93 60.21 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.42 26.72 1.61 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.052 -0.522 . . . . 50.0 110.032 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.91 29.72 8.19 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.702 1.201 . . . . 25.0 113.298 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 21.23 9.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.799 0.809 . . . . 25.0 108.929 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.62 147.76 41.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.296 -0.866 . . . . 50.0 110.169 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.07 152.86 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.367 -1.716 . . . . 50.0 106.367 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 t -134.99 147.45 49.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -156.66 174.89 14.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.555 -1.646 . . . . 50.0 106.555 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -126.71 147.66 49.94 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.823 -0.436 . . . . 50.0 109.823 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.6 mt -126.24 147.24 49.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.916 -0.402 . . . . 50.0 109.916 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.23 128.07 43.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.178 -1.045 . . . . 50.0 108.178 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.84 161.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.122 -0.696 . . . . 50.0 109.122 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -81.97 168.23 18.08 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.364 -1.347 . . . . 50.0 107.364 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.07 75.3 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 12.12 12.24 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.819 -0.628 . . . . 50.0 112.553 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.85 129.57 41.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -69.6 147.65 50.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.762 -0.654 . . . . 50.0 110.051 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.85 -35.73 80.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.42 -0.585 . . . . 50.0 109.42 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -57.87 -40.08 79.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 50.0 110.364 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -78.05 -38.84 43.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 120.886 0.374 . . . . 50.0 110.328 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.46 -44.3 96.74 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.74 0.644 . . . . 50.0 112.74 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.81 73.11 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.284 -0.567 . . . . 50.0 110.572 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.98 64.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.068 0.461 . . . . 25.0 110.268 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.55 -41.39 93.08 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.882 -0.511 . . . . 50.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 15.5 p -75.22 -26.04 58.61 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 120.445 -0.502 . . . . 50.0 111.238 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.55 -43.69 84.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.93 -44.68 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.533 -0.758 . . . . 50.0 111.725 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -70.81 -42.88 69.7 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.366 0.506 . . . . 50.0 112.366 -178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.0 p -79.63 -22.33 43.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.89 14.2 82.85 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.792 -0.718 . . . . 25.0 114.463 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.2 pt -125.07 138.46 31.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 117.46 0.63 . . . . 50.0 109.339 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -64.44 134.69 42.68 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.477 1.299 . . . . 50.0 115.477 -172.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -23.98 64.46 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.82 63.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.012 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -100.58 9.91 41.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.587 0.708 . . . . 50.0 109.227 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.5 m -131.96 168.71 17.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.615 0.721 . . . . 50.0 111.721 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -128.49 146.82 50.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 106.822 -1.548 . . . . 50.0 106.822 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.7 tt -120.71 134.55 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.6 t -128.77 139.44 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 124.252 1.021 . . . . 50.0 110.046 -167.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -137.84 139.31 39.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.885 -1.154 . . . . 50.0 107.885 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 42.81 25.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.205 0.526 . . . . 25.0 110.832 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 58.83 12.88 2.46 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.661 1.726 . . . . 50.0 115.661 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -119.81 142.65 33.51 Favored Pre-proline 0 N--CA 1.47 0.533 0 O-C-N 121.609 -0.682 . . . . 25.0 110.818 175.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.09 145.59 49.91 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 116.566 -1.823 . . . . 50.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 12.1 mt -89.88 94.1 9.68 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.1 p -108.79 -24.24 11.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.85 1.796 . . . . 25.0 115.85 -174.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -85.64 79.33 9.39 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -67.06 -2.78 5.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.463 1.282 . . . . 25.0 114.463 -173.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.47 10.58 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.335 0.654 . . . . 50.0 112.368 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -118.11 143.91 46.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 122.072 -0.392 . . . . 50.0 110.989 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 81.5 p -76.02 160.38 29.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.919 -0.582 . . . . 50.0 109.918 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.91 -34.38 78.26 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.476 0.655 . . . . 50.0 112.582 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.94 -28.03 69.8 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.044 -0.41 . . . . 25.0 110.397 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.3 t -69.1 -16.95 63.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.853 0.316 . . . . 50.0 111.853 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -101.98 -6.18 23.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.132 -0.322 . . . . 50.0 110.132 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.13 20.65 56.99 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 119.116 -0.825 . . . . 25.0 113.828 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.92 85.91 0.7 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.538 1.169 . . . . 50.0 109.554 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -82.26 167.82 18.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.3 0.571 . . . . 50.0 110.877 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -55.34 126.32 24.5 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.973 -0.558 . . . . 50.0 110.671 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.92 -10.29 66.04 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.602 -0.726 . . . . 25.0 114.515 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.55 163.31 28.2 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 117.85 0.825 . . . . 50.0 111.22 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.8 t -125.31 139.38 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.569 0.581 . . . . 50.0 112.569 -171.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.55 156.5 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.394 -0.965 . . . . 50.0 108.394 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.8 mt -121.63 128.7 75.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.839 -0.8 . . . . 50.0 108.839 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 10.0 tt -113.16 133.98 54.78 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.594 -0.891 . . . . 50.0 108.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.96 128.25 51.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.964 -0.46 . . . . 50.0 110.227 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 123.596 0.758 . . . . 50.0 111.065 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.2 p80 . . . . . 0 N--CA 1.458 -0.053 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -99.57 169.19 9.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.468 0.651 . . . . 50.0 112.232 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.8 tp -131.75 131.93 43.4 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.67 -2.344 . . . . 50.0 104.67 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.12 153.82 40.92 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.596 -0.89 . . . . 50.0 108.596 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -103.52 140.74 37.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.18 123.64 65.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.577 -0.897 . . . . 50.0 108.577 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -109.94 112.85 25.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.54 125.86 49.4 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.234 -0.291 . . . . 25.0 110.473 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.73 130.64 58.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-O 121.13 0.49 . . . . 50.0 110.93 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -125.08 145.38 49.95 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.972 -1.492 . . . . 50.0 106.972 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -65.11 -24.08 67.32 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.308 1.225 . . . . 25.0 114.308 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 16.07 2.57 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.206 0.447 . . . . 50.0 112.206 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 114' ' ' GLU . 80.5 mt 58.09 28.06 15.83 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.496 1.141 . . . . 25.0 109.881 -173.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.6 t -89.27 25.54 1.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.968 -1.469 . . . . 25.0 107.718 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 112' ' ' LEU . 14.8 pt-20 -72.68 150.99 42.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.793 -1.094 . . . . 50.0 109.461 -176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.6 p -152.1 153.81 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 50.0 107.981 -174.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -130.97 142.56 50.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -155.06 176.92 11.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.862 -1.533 . . . . 50.0 106.862 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.9 m -128.45 148.49 50.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.903 0.319 . . . . 50.0 110.309 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.69 143.51 50.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 116.205 -0.452 . . . . 50.0 110.316 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.22 128.9 44.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.51 161.06 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.462 -0.94 . . . . 50.0 108.462 -175.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.15 167.67 10.07 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.902 -0.777 . . . . 50.0 108.902 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.64 72.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.137 0.494 . . . . 25.0 110.698 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -85.5 2.6 44.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.582 -0.736 . . . . 50.0 112.601 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.64 125.81 28.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.715 -0.616 . . . . 50.0 111.532 -176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.3 152.46 43.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.967 -0.561 . . . . 50.0 112.476 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -35.51 80.59 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.825 -1.176 . . . . 50.0 107.825 170.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -58.85 -44.28 90.96 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.123 0.487 . . . . 50.0 111.163 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -73.67 -34.21 64.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.79 0.329 . . . . 50.0 110.15 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -63.37 -42.86 98.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.269 0.84 . . . . 50.0 113.269 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -65.87 -30.01 70.55 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.471 -0.892 . . . . 50.0 110.829 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.28 63.87 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.266 0.555 . . . . 25.0 110.374 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.62 -36.66 84.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.518 0.675 . . . . 50.0 109.64 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.73 -35.56 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.559 . . . . 50.0 111.391 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.46 -38.23 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.079 -0.341 . . . . 25.0 110.079 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.98 -44.13 97.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.671 0.619 . . . . 50.0 112.671 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.71 -31.28 41.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.621 0.6 . . . . 50.0 112.621 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.8 p -89.83 -20.32 23.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 -174.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.53 70.95 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.328 0.891 . . . . 25.0 115.328 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.64 153.62 81.18 Favored Pre-proline 0 C--O 1.219 -0.518 0 CA-C-N 117.425 0.613 . . . . 50.0 110.4 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.49 124.47 12.91 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 116.697 -1.735 . . . . 50.0 113.211 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.51 -24.82 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.517 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.98 69.14 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -96.01 27.06 3.78 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.747 0.784 . . . . 50.0 109.973 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -140.74 159.49 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.817 0.673 . . . . 50.0 112.817 -173.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.72 147.15 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.631 -1.618 . . . . 50.0 106.631 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.34 133.75 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.5 m -129.82 152.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.159 -0.473 . . . . 50.0 109.815 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -136.68 131.94 34.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 103.677 -2.712 . . . . 50.0 103.677 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.06 42.15 28.24 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -171.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 59.66 5.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.257 1.947 . . . . 50.0 116.257 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -109.09 139.8 21.32 Favored Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 121.646 -0.658 . . . . 25.0 109.712 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.48 145.33 52.67 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 116.992 -1.539 . . . . 50.0 116.042 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 80.4 mt -96.78 109.5 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.055 -1.461 . . . . 50.0 107.055 176.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 51.9 p -118.24 -35.67 3.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -172.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -81.66 96.51 7.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.869 0.842 . . . . 25.0 110.481 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -65.08 -19.01 65.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -175.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -72.09 -19.16 61.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.38 0.609 . . . . 50.0 112.128 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -89.61 147.63 23.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.664 -0.647 . . . . 50.0 112.26 -176.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 93.7 p -78.87 161.05 27.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 50.0 109.446 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.89 -34.61 78.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.095 0.474 . . . . 50.0 111.309 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.09 71.19 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.189 -0.319 . . . . 25.0 110.305 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.7 t -69.95 -20.14 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.437 -0.165 . . . . 50.0 110.652 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -94.4 -5.59 46.04 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.815 -0.439 . . . . 50.0 109.815 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.7 21.16 56.76 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-O 119.264 -0.742 . . . . 25.0 113.355 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.56 86.72 0.89 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.271 1.035 . . . . 50.0 109.645 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -72.92 161.54 30.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.482 -0.781 . . . . 50.0 110.371 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -59.42 127.34 31.62 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.09 -1.078 . . . . 50.0 108.09 174.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.21 58.35 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.573 -0.74 . . . . 25.0 114.2 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.15 156.39 36.33 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.365 1.082 . . . . 50.0 110.745 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.28 139.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 50.0 110.614 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.17 156.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.503 -1.295 . . . . 50.0 107.503 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.8 mt -122.81 129.07 75.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 107.123 -1.436 . . . . 50.0 107.123 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.77 136.79 52.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.498 -1.297 . . . . 50.0 107.498 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -130.41 108.85 10.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.278 -0.638 . . . . 50.0 109.278 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 123.607 1.67 . . . . 50.0 111.724 -177.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 104.532 -2.396 . . . . 25.0 104.532 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 44.3 mtm -131.81 171.03 14.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.726 0.298 . . . . 50.0 110.794 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.76 133.06 47.97 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.503 -1.666 . . . . 50.0 106.503 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.74 152.63 47.5 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.472 -0.936 . . . . 50.0 108.472 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -101.18 137.63 39.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.18 122.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.169 -0.678 . . . . 50.0 109.169 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -106.57 114.79 29.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.75 130.91 44.68 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.9 t -115.37 131.88 66.37 Favored 'Isoleucine or valine' 0 C--O 1.245 0.84 0 N-CA-C 113.123 0.786 . . . . 50.0 113.123 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -124.71 145.74 49.53 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 106.917 -1.512 . . . . 50.0 106.917 169.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.4 -30.66 71.37 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.75 23.26 1.0 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.285 0.476 . . . . 50.0 112.285 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 114' ' ' GLU . 82.7 mt 56.11 30.89 17.17 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.508 1.123 . . . . 25.0 112.53 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.77 24.59 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 112' ' ' LEU . 21.7 pt-20 -72.39 152.69 41.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.532 -1.213 . . . . 50.0 110.389 -174.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -150.55 154.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.412 -1.699 . . . . 50.0 106.412 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -132.55 142.68 49.28 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 175.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -150.34 176.15 11.16 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 106.477 -1.675 . . . . 50.0 106.477 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 91.7 p -128.81 152.58 48.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.179 -0.674 . . . . 50.0 109.179 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.5 mt -128.61 141.36 51.38 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.217 0.532 . . . . 50.0 110.366 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -91.54 127.74 37.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.716 -1.957 . . . . 50.0 105.716 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.68 -179.64 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.816 -1.179 . . . . 50.0 107.816 -174.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -108.96 166.96 10.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.787 -0.819 . . . . 50.0 108.787 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.23 91.37 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -92.89 15.53 14.61 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.694 0.759 . . . . 50.0 111.925 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.64 127.51 31.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.556 . . . . 50.0 110.518 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -69.98 148.6 48.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.812 0.339 . . . . 50.0 110.669 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.49 -28.16 69.47 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.115 -0.366 . . . . 50.0 111.467 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.79 -44.46 96.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.65 0.738 . . . . 50.0 109.351 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.92 -40.26 68.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.676 0.75 . . . . 50.0 109.592 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.09 -42.62 98.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.577 0.584 . . . . 50.0 112.577 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -69.47 -29.6 67.3 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.611 -0.836 . . . . 50.0 111.315 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.76 79.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 mp -63.12 -43.38 98.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.653 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.6 p -76.74 -25.07 53.08 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 119.685 -0.806 . . . . 50.0 112.022 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.46 -41.49 96.48 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.45 -45.21 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.821 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -68.98 -35.72 77.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.275 0.559 . . . . 50.0 111.184 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.1 m -80.23 -26.01 39.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.52 30.42 73.1 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.49 0.556 . . . . 25.0 114.49 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.04 152.58 77.74 Favored Pre-proline 0 N--CA 1.473 0.71 0 N-CA-C 109.089 -0.708 . . . . 50.0 109.089 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -68.87 134.52 30.1 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 115.812 -2.325 . . . . 50.0 112.998 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.05 67.87 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.965 -0.459 . . . . 25.0 110.737 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.79 -22.33 66.96 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -103.49 8.5 37.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.976 0.362 . . . . 50.0 111.976 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 78.6 p -143.4 167.28 22.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.868 1.062 . . . . 50.0 113.868 -173.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.35 160.3 38.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.61 -0.885 . . . . 50.0 108.61 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 tt -124.98 134.93 65.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.306 -0.628 . . . . 25.0 109.306 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.16 138.4 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 124.247 1.019 . . . . 50.0 110.551 -168.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -142.84 143.72 32.22 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.453 -1.314 . . . . 50.0 107.453 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.09 44.94 28.44 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.837 0.455 . . . . 25.0 110.773 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.7 9.76 2.32 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.25 1.574 . . . . 50.0 115.25 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.14 145.08 54.05 Favored Pre-proline 0 N--CA 1.466 0.353 0 O-C-N 121.771 -0.581 . . . . 25.0 112.17 -178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.87 145.02 49.67 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 116.39 -1.94 . . . . 50.0 112.166 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.6 mt -88.3 80.46 7.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -80.74 -39.27 27.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.276 1.584 . . . . 25.0 115.276 -171.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -83.76 89.66 7.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.713 0.768 . . . . 25.0 110.394 -176.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -71.22 -7.67 48.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.418 1.266 . . . . 25.0 114.418 -174.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -83.52 -15.83 47.87 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.133 0.492 . . . . 50.0 111.532 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.39 153.31 22.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.713 -0.617 . . . . 50.0 111.335 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.9 p -81.62 161.54 23.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.814 -0.63 . . . . 50.0 110.506 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.13 -36.49 84.19 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 112.577 0.584 . . . . 50.0 112.577 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.89 70.87 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.191 -0.318 . . . . 25.0 110.621 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 23.0 t -66.75 -19.85 65.84 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.172 -0.33 . . . . 50.0 111.253 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -101.36 -2.82 30.01 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.903 0.382 . . . . 50.0 110.07 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 78.98 28.64 53.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-O 119.169 -0.795 . . . . 25.0 112.694 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.01 83.89 1.26 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.633 1.217 . . . . 50.0 109.454 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -68.41 151.56 46.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.702 -0.681 . . . . 50.0 110.241 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.47 133.12 55.8 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.61 -11.03 66.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.628 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.87 164.95 26.01 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 118.884 1.342 . . . . 50.0 112.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 24.1 t -115.27 132.4 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.468 0.651 . . . . 50.0 111.924 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 4.1 t -112.08 144.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.234 -1.395 . . . . 50.0 107.234 178.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.41 120.78 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.377 0.608 . . . . 50.0 109.477 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.1 tt -99.4 130.92 45.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.545 -2.02 . . . . 50.0 105.545 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -124.33 120.04 31.01 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.306 -0.872 . . . . 50.0 112.66 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.208 -1.115 0 CA-C-O 123.89 1.805 . . . . 50.0 109.737 168.754 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -131.73 164.96 24.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.818 -0.438 . . . . 50.0 109.818 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -122.28 133.59 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.01 154.39 39.92 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.232 -1.025 . . . . 50.0 108.232 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.39 138.09 47.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.131 -1.063 . . . . 25.0 108.131 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.59 131.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.098 -1.075 . . . . 50.0 108.098 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -117.04 113.44 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.713 -1.218 . . . . 25.0 107.713 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.415 ' HG ' ' HB3' ' A' ' 174' ' ' LEU . 78.8 m -98.96 135.7 40.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.84 131.94 70.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 122.893 0.477 . . . . 50.0 111.921 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -124.29 148.27 47.54 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.057 -1.831 . . . . 50.0 106.057 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -66.04 -22.38 66.43 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.51 18.53 2.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.583 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.9 mt 57.09 28.82 15.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.09 0.956 . . . . 25.0 111.476 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.7 m -90.45 26.04 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 25.0 109.284 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.35 148.1 45.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.244 -0.889 . . . . 50.0 110.844 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.48 157.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.428 -1.323 . . . . 50.0 107.428 -173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -136.24 149.67 48.62 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.023 -1.103 . . . . 25.0 108.023 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.55 173.15 17.35 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.09 -1.818 . . . . 50.0 106.09 -176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.8 m -124.84 150.02 46.85 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.095 -0.706 . . . . 50.0 109.095 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.07 143.55 51.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.207 -0.664 . . . . 50.0 109.207 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -102.36 125.98 49.24 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.547 -1.649 . . . . 50.0 106.547 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.64 166.58 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.904 -0.776 . . . . 50.0 108.904 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.43 166.96 12.97 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.566 -1.272 . . . . 50.0 107.566 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.5 74.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.42 -5.16 57.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 50.0 112.299 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.5 127.71 32.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.288 0.566 . . . . 50.0 110.879 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.498 ' HG2' ' H ' ' A' ' 129' ' ' ASN . 1.6 pm0 -79.27 150.85 31.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.164 0.801 . . . . 50.0 113.164 -174.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 50.0 109.685 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -58.69 -44.84 90.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 50.0 112.067 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.498 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 76.0 m-20 -80.76 -30.34 36.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.167 -0.47 . . . . 50.0 109.98 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.13 -45.48 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.97 -0.457 . . . . 50.0 112.046 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -65.74 -28.29 68.93 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.043 -0.663 . . . . 50.0 110.856 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.9 70.59 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.98 -37.74 88.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.676 -0.491 . . . . 50.0 109.676 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.08 -40.61 94.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.92 -0.487 . . . . 50.0 110.512 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.53 -40.33 96.45 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.087 0.555 . . . . 25.0 110.709 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.84 -45.91 90.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 50.0 112.085 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -79.36 -34.7 41.81 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.675 0.621 . . . . 50.0 112.675 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 89.7 p -81.65 -24.59 36.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.32 70.38 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 115.068 0.787 . . . . 25.0 115.068 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.4 pt -125.2 145.65 51.3 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 107.74 -1.207 . . . . 50.0 107.74 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.27 128.22 23.25 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 116.407 -1.928 . . . . 50.0 114.177 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.17 -27.3 67.91 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.78 -24.83 67.02 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -95.96 -0.69 50.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 50.0 110.672 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 m -119.38 161.01 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.29 0.478 . . . . 50.0 112.29 -170.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -121.54 146.36 47.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.35 -0.982 . . . . 50.0 108.35 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -121.75 131.05 73.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 -175.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.42 133.88 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.489 0.716 . . . . 50.0 111.228 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -136.54 139.78 42.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.35 -1.722 . . . . 50.0 106.35 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.39 41.52 28.32 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 123.002 0.521 . . . . 25.0 111.482 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.65 13.68 3.56 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.051 1.501 . . . . 50.0 115.051 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -119.48 136.92 24.92 Favored Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 121.733 -0.604 . . . . 25.0 110.716 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.65 149.42 48.91 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 115.995 -2.203 . . . . 50.0 112.059 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.1 mt -99.46 89.99 4.36 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.761 -1.2 . . . . 50.0 107.761 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.2 p -99.42 -20.86 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.849 1.425 . . . . 25.0 114.849 -172.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.96 99.37 12.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -65.65 -20.07 66.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.391 -0.822 . . . . 25.0 112.484 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -83.53 -6.03 59.33 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 113.366 0.876 . . . . 50.0 113.366 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -90.97 148.24 22.55 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 121.353 -0.842 . . . . 50.0 109.923 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 92.7 p -79.59 159.04 26.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 50.0 107.782 173.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 35.6 mt -65.22 -33.39 75.88 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.451 0.643 . . . . 50.0 110.951 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.043 -0.411 . . . . 25.0 110.005 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.86 -17.1 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.266 -0.271 . . . . 50.0 110.724 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.53 -6.36 40.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.85 -0.426 . . . . 50.0 109.85 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.04 19.7 56.96 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 114.267 0.467 . . . . 25.0 114.267 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.23 88.6 0.84 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.53 0.665 . . . . 50.0 111.009 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.07 155.74 33.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.021 -0.99 . . . . 50.0 110.598 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -59.69 130.65 47.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.181 -1.044 . . . . 50.0 108.181 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.97 -11.55 67.68 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.584 -0.734 . . . . 25.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -65.72 148.8 51.16 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.162 0.981 . . . . 50.0 111.086 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.3 t -108.61 128.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.407 -0.815 . . . . 50.0 109.784 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.52 135.73 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.194 -1.039 . . . . 50.0 108.194 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.27 120.48 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.465 -0.939 . . . . 50.0 108.465 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.415 ' HB3' ' HG ' ' A' ' 107' ' ' CYS . 9.4 tt -113.27 131.47 55.91 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.523 -1.658 . . . . 50.0 106.523 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -130.73 132.04 45.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.752 0.649 . . . . 50.0 112.752 -172.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 118.118 -0.944 . . . . 50.0 109.866 170.405 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 p80 . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 105.031 -2.211 . . . . 25.0 105.031 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -144.48 164.6 30.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.187 -0.671 . . . . 50.0 109.187 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.25 130.02 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.851 -0.796 . . . . 50.0 108.851 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.29 153.71 38.56 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.721 -0.844 . . . . 50.0 108.721 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -104.97 141.06 37.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.4 124.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 108.509 -0.923 . . . . 50.0 108.509 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.27 109.07 19.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.3 t -93.69 134.3 36.15 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.7 t -127.55 131.34 70.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.142 0.496 . . . . 50.0 111.962 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.24 147.17 50.22 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.841 -1.17 . . . . 50.0 107.841 171.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -66.17 -25.89 67.16 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 111.899 0.333 . . . . 25.0 111.899 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -81.18 23.18 0.6 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.507 0.558 . . . . 50.0 112.507 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt 57.46 29.75 17.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.507 1.123 . . . . 25.0 112.11 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.97 21.16 4.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.411 -0.813 . . . . 25.0 109.059 176.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.56 146.08 46.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.164 -0.925 . . . . 50.0 111.111 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 148.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 107.757 -1.201 . . . . 50.0 107.757 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -125.96 143.03 51.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -155.61 174.48 15.21 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.789 -1.56 . . . . 50.0 106.789 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -130.19 149.78 51.74 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.754 -0.462 . . . . 50.0 109.754 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.0 mt -130.28 148.04 52.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.077 -0.511 . . . . 50.0 110.752 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -97.42 127.99 43.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.836 -1.542 . . . . 50.0 106.836 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.6 m -140.44 163.16 23.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.023 -0.732 . . . . 50.0 109.023 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -83.44 161.59 21.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.69 -0.855 . . . . 50.0 108.69 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.02 73.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 25.0 109.89 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.97 8.78 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.415 -0.811 . . . . 50.0 112.625 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -63.92 127.04 29.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.257 0.551 . . . . 50.0 109.985 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.2 149.57 47.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.776 -0.647 . . . . 50.0 110.622 -177.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -35.59 78.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.543 -0.299 . . . . 50.0 111.267 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -60.37 -46.78 88.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 50.0 110.0 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -69.22 -31.65 70.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 50.0 109.6 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -63.39 -41.43 98.76 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.17 -0.331 . . . . 50.0 111.685 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -60.77 -44.89 96.19 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.091 0.472 . . . . 50.0 109.938 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.7 98.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 25.0 111.229 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.08 -37.46 85.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.284 0.564 . . . . 50.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.73 -41.58 99.25 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.788 -0.642 . . . . 50.0 110.585 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.62 -41.56 99.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.542 0.337 . . . . 25.0 110.179 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.08 -48.73 78.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 50.0 110.926 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.63 -43.08 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.373 0.606 . . . . 50.0 111.884 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.4 t -79.93 -16.1 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.82 24.97 75.07 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.347 -0.454 . . . . 25.0 113.914 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.1 pt -133.94 145.84 57.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.598 -0.519 . . . . 50.0 109.598 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -65.39 133.76 36.11 Favored 'Trans proline' 0 C--O 1.238 0.511 0 C-N-CA 115.992 -2.205 . . . . 50.0 113.069 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.25 68.3 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.78 71.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.756 0.312 . . . . 25.0 111.775 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -83.55 9.62 10.95 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.595 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.3 p -137.24 160.67 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 116.419 2.007 . . . . 50.0 116.419 -173.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -120.03 152.95 36.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.728 -1.124 . . . . 50.0 108.045 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.2 tt -121.37 136.16 59.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.33 138.46 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.458 -0.941 . . . . 50.0 108.458 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -138.12 131.24 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.448 -0.945 . . . . 50.0 108.448 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.94 41.77 27.42 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.147 0.499 . . . . 25.0 110.546 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 60.73 11.49 3.18 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.202 1.556 . . . . 50.0 115.202 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -110.96 132.2 21.77 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 121.721 -0.612 . . . . 25.0 109.403 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -70.89 146.86 54.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 115.256 -2.696 . . . . 50.0 111.361 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 81.4 mt -102.56 98.75 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.457 -0.942 . . . . 50.0 108.457 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 75.0 p -115.41 -22.84 9.13 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 87.76 7.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.116 0.96 . . . . 25.0 110.054 -177.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.96 -15.3 62.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.706 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.07 3.88 4.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.858 1.058 . . . . 50.0 113.858 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -120.83 141.17 50.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.523 -0.736 . . . . 50.0 110.789 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.13 161.48 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.516 -0.765 . . . . 50.0 109.851 176.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.01 -38.98 93.36 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.218 0.822 . . . . 50.0 113.218 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.67 70.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 122.046 -0.409 . . . . 25.0 110.758 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 15.6 m -69.53 -17.07 63.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.202 0.445 . . . . 50.0 112.202 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -98.44 -2.86 38.04 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.904 -0.406 . . . . 50.0 109.904 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.56 18.05 59.24 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 119.3 -0.722 . . . . 25.0 113.631 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.86 86.42 2.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 118.503 1.151 . . . . 50.0 108.249 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -83.74 169.62 15.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.26 125.54 22.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.604 0.716 . . . . 50.0 110.105 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.32 -14.26 59.64 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.095 -0.957 . . . . 25.0 114.014 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.82 154.55 41.73 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 118.217 1.008 . . . . 50.0 109.275 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -126.67 138.51 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 50.0 111.568 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.08 160.76 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 107.676 -1.231 . . . . 50.0 107.676 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.03 132.45 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 106.962 -1.496 . . . . 50.0 106.962 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tp -116.8 134.52 54.69 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.218 -1.401 . . . . 50.0 107.218 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -119.84 117.15 27.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.762 -0.829 . . . . 50.0 108.762 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 123.167 1.46 . . . . 50.0 110.947 -179.447 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 p80 . . . . . 0 C--O 1.237 0.431 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -133.86 172.05 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.62 -1.252 . . . . 50.0 107.62 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.08 128.2 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.168 -0.679 . . . . 50.0 109.168 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.25 149.3 42.0 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 109.793 -0.447 . . . . 50.0 109.793 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -104.24 140.87 37.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.23 126.34 72.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 107.443 -1.317 . . . . 50.0 107.443 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.03 108.4 19.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.8 t -97.63 116.37 29.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.953 0.406 . . . . 25.0 110.004 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.45 119.65 47.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-O 121.403 0.62 . . . . 50.0 112.204 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -97.77 136.8 37.58 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 105.369 -2.086 . . . . 50.0 105.369 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.29 -16.04 63.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.766 0.317 . . . . 25.0 111.767 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -92.12 25.24 2.95 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.902 -0.59 . . . . 50.0 110.879 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.7 mt 58.21 18.81 5.64 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 25.78 1.45 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.77 0.795 . . . . 25.0 110.122 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.42 153.17 41.56 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.897 -1.047 . . . . 50.0 112.172 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.87 158.49 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.647 -1.242 . . . . 50.0 107.647 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -133.95 149.21 51.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 174.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -154.73 170.54 21.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.405 -1.702 . . . . 50.0 106.405 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.4 m -129.33 147.98 51.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.028 -0.36 . . . . 50.0 110.028 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.6 mt -131.37 149.05 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 50.0 109.162 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -106.64 134.18 50.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.749 -0.834 . . . . 50.0 108.749 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 m -148.44 168.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.044 -1.095 . . . . 50.0 108.044 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -87.28 166.92 14.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 172.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.02 -35.28 76.47 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 122.173 -0.33 . . . . 25.0 111.141 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -90.44 4.38 51.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.507 0.67 . . . . 50.0 111.997 -176.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.15 132.9 54.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.445 -0.798 . . . . 50.0 109.833 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -68.86 147.19 52.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 50.0 111.334 -176.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -34.3 77.33 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.963 -0.46 . . . . 50.0 110.21 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -61.41 -38.59 87.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.542 0.687 . . . . 50.0 109.81 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.31 -42.65 62.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.694 -0.685 . . . . 50.0 109.734 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -60.76 -43.3 98.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.534 0.568 . . . . 50.0 112.534 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -67.39 -29.84 69.46 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.062 -0.655 . . . . 50.0 111.155 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.23 71.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mp -62.05 -44.84 95.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.33 -0.396 . . . . 50.0 110.828 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.3 p -73.94 -25.32 59.9 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 119.644 -0.822 . . . . 50.0 111.358 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -67.69 -44.53 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.91 -45.04 91.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.704 -0.68 . . . . 50.0 111.227 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -67.98 -41.51 82.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.097 0.475 . . . . 50.0 111.428 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.3 t -77.89 -22.22 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.11 32.75 77.18 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 114.509 0.564 . . . . 25.0 114.509 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 42.2 pt -125.13 150.6 67.37 Favored Pre-proline 0 C--O 1.216 -0.702 0 CA-C-N 117.415 0.607 . . . . 50.0 110.482 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -69.89 127.87 15.11 Favored 'Trans proline' 0 C--O 1.24 0.582 0 C-N-CA 115.959 -2.227 . . . . 50.0 112.326 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.33 67.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.046 -0.409 . . . . 25.0 111.173 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.11 69.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.948 0.404 . . . . 25.0 111.875 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -97.73 13.99 28.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.931 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.7 p -147.85 170.93 16.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.905 0.706 . . . . 50.0 112.905 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -138.12 151.64 47.97 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 107.931 -1.137 . . . . 50.0 107.931 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.9 tt -118.13 131.55 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 121.452 0.644 . . . . 25.0 109.338 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.0 t -127.72 140.27 49.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.121 -0.945 . . . . 50.0 110.4 -169.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -140.8 138.44 34.06 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.258 -1.386 . . . . 50.0 107.258 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.34 42.17 28.84 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.251 0.548 . . . . 25.0 110.987 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 59.76 11.71 2.61 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.059 1.503 . . . . 50.0 115.059 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -118.19 139.88 27.28 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.664 -0.647 . . . . 25.0 110.481 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -70.71 143.31 45.92 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 115.819 -2.321 . . . . 50.0 111.792 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.63 65.87 9.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.577 -0.738 . . . . 50.0 109.873 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 31.8 p -73.11 -42.2 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -173.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -82.57 89.09 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.929 0.871 . . . . 25.0 110.201 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -72.89 -11.98 60.79 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -171.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -80.4 -6.84 58.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.699 0.629 . . . . 50.0 112.699 -173.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -90.74 157.49 17.39 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.378 -0.374 . . . . 50.0 110.777 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.7 p -79.79 163.0 24.78 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.084 -0.71 . . . . 50.0 109.084 173.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 48.0 mt -67.67 -30.27 69.76 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.541 0.686 . . . . 50.0 110.61 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.04 69.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.695 -0.684 . . . . 25.0 111.04 175.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 26.2 t -66.58 -25.85 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.554 0.216 . . . . 50.0 111.146 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.49 -4.06 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.284 0.564 . . . . 50.0 109.658 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 73.58 24.4 74.81 Favored Glycine 0 C--O 1.238 0.406 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.1 mt -73.33 83.37 1.41 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.09 0.471 . . . . 50.0 110.443 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -78.97 168.57 19.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.653 0.739 . . . . 50.0 112.542 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.57 129.39 40.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.141 -0.936 . . . . 50.0 110.192 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.18 -11.32 67.45 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.885 -1.052 . . . . 25.0 113.878 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.85 159.3 33.96 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 118.46 1.13 . . . . 50.0 111.037 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 18.2 t -122.83 134.56 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.653 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.37 154.12 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.138 -1.43 . . . . 50.0 107.138 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 65.9 mt -118.44 115.49 48.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.747 0.784 . . . . 50.0 109.104 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.8 124.61 36.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.311 -2.107 . . . . 50.0 105.311 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -114.45 112.22 22.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.173 0.511 . . . . 50.0 111.294 -173.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.211 -0.941 0 CA-C-O 123.723 1.725 . . . . 50.0 111.595 175.539 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 103.477 -2.786 . . . . 25.0 103.477 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.4 mtm -122.94 161.48 24.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.107 -0.701 . . . . 50.0 109.107 -178.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.7 tp -123.02 124.06 42.28 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 106.753 -1.573 . . . . 50.0 106.753 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -118.82 148.74 42.53 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.277 -0.638 . . . . 50.0 109.277 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -102.89 139.29 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 56.7 t -123.41 125.25 71.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.578 -1.268 . . . . 50.0 107.578 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 177.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.6 t -97.86 132.3 43.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 t -124.49 134.7 66.03 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.331 0.586 . . . . 50.0 112.292 -177.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -124.72 146.59 49.09 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.129 -1.063 . . . . 50.0 108.129 173.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -69.81 -16.89 63.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.53 15.41 4.58 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.048 -0.978 . . . . 50.0 111.047 179.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.9 mt 58.18 25.29 12.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.665 1.186 . . . . 25.0 113.855 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.67 25.91 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.248 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.33 147.56 46.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.673 -0.694 . . . . 50.0 112.301 -172.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.01 151.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 107.908 -1.145 . . . . 50.0 107.908 -174.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -131.63 143.69 50.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -152.91 172.26 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.041 -1.466 . . . . 50.0 107.041 -177.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -130.63 149.53 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.559 -0.534 . . . . 50.0 109.559 -179.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.2 mt -132.84 143.55 49.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.086 -0.506 . . . . 50.0 110.791 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -90.98 129.31 37.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.64 162.61 26.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.851 -0.613 . . . . 50.0 110.495 -175.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.95 167.03 13.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.728 -0.471 . . . . 50.0 109.728 178.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.36 86.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.663 -178.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -95.52 15.59 19.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.355 0.598 . . . . 50.0 111.061 -175.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.09 131.47 48.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.644 -1.243 . . . . 50.0 107.644 176.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.25 149.66 47.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.27 -0.269 . . . . 50.0 110.66 -176.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -31.19 72.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.574 -1.269 . . . . 50.0 107.574 171.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -58.56 -42.36 87.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 50.0 111.883 175.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.98 -37.76 46.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.299 0.571 . . . . 50.0 109.736 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -61.71 -43.68 98.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -65.86 -29.61 70.09 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 120.273 -0.571 . . . . 50.0 110.756 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.07 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.254 0.55 . . . . 25.0 109.635 177.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.85 -43.5 98.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.245 -0.434 . . . . 50.0 110.247 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 11.0 p -73.9 -24.45 59.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.107 -0.637 . . . . 50.0 111.419 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -66.34 -40.88 90.12 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 177.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.56 -43.69 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.938 -0.574 . . . . 50.0 111.007 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -67.86 -39.11 83.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.077 0.465 . . . . 50.0 111.798 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.7 m -76.46 -26.34 55.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.444 -0.343 . . . . 25.0 111.668 -177.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.79 12.72 80.85 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.469 -0.396 . . . . 25.0 114.045 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.77 132.68 19.62 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 107.321 -1.363 . . . . 50.0 107.321 -176.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.04 131.03 43.46 Favored 'Trans proline' 0 C--N 1.352 0.729 0 N-CA-C 116.504 1.694 . . . . 50.0 116.504 -176.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.82 64.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.718 -1.128 . . . . 25.0 109.792 176.361 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.45 65.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 25.0 112.186 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -98.5 22.43 9.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.925 0.393 . . . . 50.0 110.575 -179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.4 p -142.86 178.47 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.165 1.172 . . . . 50.0 114.165 -174.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -129.63 144.5 51.31 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 106.749 -1.575 . . . . 50.0 106.749 174.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -126.23 132.51 70.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 26.5 m -129.88 152.95 38.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 123.079 0.552 . . . . 50.0 109.862 -175.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -133.81 131.59 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.89 -1.893 . . . . 50.0 105.89 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.75 43.2 28.14 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.168 0.509 . . . . 25.0 110.568 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.47 16.06 7.22 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.066 1.876 . . . . 50.0 116.066 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -125.09 142.33 40.98 Favored Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.51 148.46 42.62 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 116.639 -1.774 . . . . 50.0 114.948 -173.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.93 67.77 3.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.15 -1.055 . . . . 50.0 108.15 178.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 12.6 p -72.32 -32.43 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -85.8 88.67 7.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.103 0.477 . . . . 25.0 110.422 -175.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -66.97 -16.45 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.881 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -72.0 -23.94 61.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.994 -0.548 . . . . 50.0 111.754 178.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -75.65 150.44 37.96 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.793 -0.567 . . . . 50.0 110.386 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 90.3 p -81.94 164.72 21.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.3 -1.37 . . . . 50.0 107.3 170.275 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.44 -35.21 80.18 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.385 0.612 . . . . 50.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.46 -30.13 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.716 177.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.7 m -71.42 -16.69 62.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.822 0.344 . . . . 50.0 111.671 177.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.06 -9.84 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.033 0.445 . . . . 50.0 110.096 174.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 21.67 63.95 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -176.381 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.81 86.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.973 0.892 . . . . 50.0 111.157 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.78 156.56 38.12 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 114.833 -1.076 . . . . 50.0 111.38 178.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -59.62 129.78 43.62 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.703 -1.221 . . . . 50.0 107.703 174.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.62 -15.05 58.87 Favored Glycine 0 C--O 1.23 -0.15 0 CA-C-N 115.607 -0.724 . . . . 25.0 113.571 -176.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -66.94 153.79 42.7 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 118.048 0.924 . . . . 50.0 110.987 178.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 20.6 t -116.38 133.47 62.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-N 115.379 -0.828 . . . . 50.0 109.795 -178.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.75 154.54 12.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 N-CA-C 106.614 -1.624 . . . . 50.0 106.614 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 81.2 mt -121.96 123.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.133 -1.062 . . . . 50.0 108.133 -174.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.5 tt -109.72 127.39 54.57 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.184 -1.414 . . . . 50.0 107.184 179.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -108.18 106.45 16.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.42 0.629 . . . . 50.0 109.449 -178.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 124.155 1.931 . . . . 50.0 112.884 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 41.9 mtm -130.57 149.19 52.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.696 -1.224 . . . . 50.0 107.696 173.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.1 tp -111.82 130.2 55.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.199 -1.408 . . . . 50.0 107.199 175.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -124.12 144.76 49.7 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.0 m -94.22 139.57 30.87 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 178.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.0 t -125.12 130.26 73.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.59 113.0 22.1 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 177.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.0 m -103.17 116.58 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.903 0.382 . . . . 25.0 110.12 -177.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.07 114.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.057 0.456 . . . . 50.0 111.98 -177.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -84.61 147.18 27.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.884 -1.895 . . . . 50.0 105.884 169.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -68.7 -9.31 49.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.552 0.691 . . . . 25.0 110.207 175.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.83 17.31 13.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.869 1.268 . . . . 50.0 111.691 -177.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.4 mt 58.65 15.65 3.82 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.35 26.14 0.8 Allowed 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.047 0.939 . . . . 25.0 112.03 177.361 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -72.49 150.4 43.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.551 -0.75 . . . . 50.0 112.379 -166.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.07 158.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.867 -1.16 . . . . 50.0 107.867 -171.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -137.11 149.59 47.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 175.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -157.93 177.53 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 105.313 -2.106 . . . . 50.0 105.313 -177.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.9 p -127.21 149.86 49.8 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.4 mt -125.44 147.19 49.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.791 -0.448 . . . . 50.0 109.791 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -102.93 131.89 49.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 177.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.86 178.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.173 -1.047 . . . . 50.0 108.173 -173.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -111.51 169.71 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.249 -1.389 . . . . 50.0 107.249 171.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.38 90.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.29 -0.1 56.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.133 0.42 . . . . 50.0 112.133 -176.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -60.49 128.98 39.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.245 0.545 . . . . 50.0 110.946 -177.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.06 150.46 47.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 50.0 112.308 -175.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.07 -29.18 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.574 -0.284 . . . . 50.0 111.032 175.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -61.65 -48.2 81.94 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.368 -0.605 . . . . 50.0 109.368 177.564 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -73.63 -30.03 62.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 50.0 110.685 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.72 -47.6 77.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.08 -0.388 . . . . 50.0 110.899 177.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -68.88 -27.97 66.27 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 119.678 -0.809 . . . . 50.0 110.087 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.72 90.26 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 176.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.25 -41.01 94.72 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 177.081 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.7 t -61.96 -44.76 96.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 50.0 111.098 178.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -35.8 82.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.396 -0.19 . . . . 25.0 111.295 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.609 -0.268 . . . . 50.0 110.396 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.12 -40.41 82.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.342 0.592 . . . . 50.0 110.849 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.0 t -79.35 -27.24 41.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.43 33.08 40.27 Favored Glycine 0 C--N 1.329 0.164 0 C-N-CA 121.064 -0.589 . . . . 25.0 113.24 176.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.8 pt -120.47 154.39 56.66 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.009 0.744 . . . . 50.0 113.009 -174.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.96 134.54 27.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 116.988 -1.541 . . . . 50.0 112.259 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.99 68.75 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.56 -27.38 66.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.692 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -97.04 6.41 48.64 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.325 -0.398 . . . . 50.0 111.891 -174.192 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.6 p -127.56 150.93 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.479 1.288 . . . . 50.0 114.479 -174.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -132.87 135.48 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.478 -1.304 . . . . 50.0 107.478 177.659 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -109.61 130.93 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 -174.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.0 136.68 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.311 0.644 . . . . 50.0 111.623 -170.118 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -130.46 135.43 47.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.633 -0.877 . . . . 50.0 108.633 175.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 48.44 42.04 17.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.282 0.633 . . . . 25.0 112.395 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.92 25.44 15.42 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.379 1.622 . . . . 50.0 115.379 -177.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -130.22 134.63 26.33 Favored Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 121.35 -0.844 . . . . 25.0 108.767 171.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.61 146.4 54.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 116.133 -2.111 . . . . 50.0 110.664 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.59 63.96 7.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.33 0.586 . . . . 50.0 109.791 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -71.07 -30.43 66.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -82.36 72.95 9.43 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 175.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -70.46 -12.89 61.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.347 -175.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.86 -5.95 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.873 0.368 . . . . 50.0 111.774 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -86.97 156.39 19.8 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.963 -0.755 . . . . 50.0 108.963 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 94.7 p -80.68 164.89 22.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.248 -0.433 . . . . 50.0 110.069 174.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.18 -39.48 92.82 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.176 0.512 . . . . 50.0 110.974 177.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.97 -30.18 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 25.0 111.463 176.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.0 m -70.12 -16.58 63.13 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.163 0.431 . . . . 50.0 112.163 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -102.0 -8.99 21.02 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.699 -0.482 . . . . 50.0 109.699 175.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 88.03 20.54 49.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-O 119.503 -0.61 . . . . 25.0 113.942 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.4 84.76 1.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.242 1.021 . . . . 50.0 110.913 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.44 161.97 30.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.161 -0.927 . . . . 50.0 111.026 177.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.1 131.09 44.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.409 -0.589 . . . . 50.0 109.409 173.269 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.87 -8.98 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.96 -0.564 . . . . 25.0 114.007 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.45 167.42 21.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.783 0.792 . . . . 50.0 110.533 179.137 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.4 p -130.59 140.6 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.786 0.803 . . . . 50.0 113.096 -173.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.12 139.46 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.2 mt -112.79 127.36 70.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.915 . . . . 50.0 108.528 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -114.2 141.84 47.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.268 -1.382 . . . . 50.0 107.268 177.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -123.7 130.2 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.85 -0.426 . . . . 50.0 109.85 175.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 123.699 1.714 . . . . 50.0 111.064 179.716 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 69.2 m80 . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.5 mtm -133.0 166.75 21.68 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.8 -1.556 . . . . 50.0 106.8 175.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -126.47 130.15 50.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.697 -1.223 . . . . 50.0 107.697 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -122.42 145.9 47.86 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -100.03 138.85 36.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 178.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t -125.12 122.77 63.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -99.28 112.94 25.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 173.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.5 t -100.26 116.57 32.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -177.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.34 125.39 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.39 -0.967 . . . . 50.0 108.39 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -116.24 149.14 39.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.385 -0.969 . . . . 50.0 108.385 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 114.685 1.365 . . . . 25.0 114.685 -171.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.98 29.07 1.43 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.101 0.408 . . . . 50.0 112.101 -175.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt 58.77 25.38 13.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.508 1.123 . . . . 25.0 112.224 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.93 25.97 1.05 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.903 -1.044 . . . . 25.0 111.435 179.268 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.4 151.69 42.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 50.0 112.807 -170.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.78 161.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.582 -1.636 . . . . 50.0 106.582 -173.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -129.8 145.4 51.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 174.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -154.72 176.54 12.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.207 -1.405 . . . . 50.0 107.207 -176.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.5 m -131.5 151.15 51.81 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.352 -0.61 . . . . 50.0 109.352 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.0 148.41 49.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.421 0.451 . . . . 50.0 110.446 -177.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -98.25 128.76 44.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.169 -1.419 . . . . 50.0 107.169 176.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.67 171.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.205 -0.665 . . . . 50.0 109.205 -172.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -98.84 165.92 11.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.355 -1.35 . . . . 50.0 107.355 173.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.84 83.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.673 -0.642 . . . . 25.0 110.631 174.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -89.98 4.37 50.32 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.663 0.744 . . . . 50.0 111.893 -176.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -59.8 131.05 49.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.534 -0.913 . . . . 50.0 108.534 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.1 152.68 42.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.917 -0.401 . . . . 50.0 109.917 -177.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -30.72 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.46 -1.311 . . . . 50.0 107.46 172.444 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 50.0 110.857 173.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -75.3 -33.27 61.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.316 0.579 . . . . 50.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -63.22 -45.01 93.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.071 -0.393 . . . . 50.0 112.027 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -28.02 66.13 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 119.868 -0.733 . . . . 50.0 110.863 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.15 69.82 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.207 0.527 . . . . 25.0 109.819 176.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 tp -63.4 -41.67 98.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.527 0.679 . . . . 50.0 109.484 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.38 -39.39 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.753 -0.658 . . . . 50.0 111.629 177.056 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.92 -43.63 98.33 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.687 0.395 . . . . 25.0 110.05 179.131 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.12 -47.44 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.128 -0.487 . . . . 50.0 110.634 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.74 -37.11 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.356 0.598 . . . . 50.0 112.296 -177.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 38.1 m -80.74 -22.77 39.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.078 0.399 . . . . 25.0 112.078 -177.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.14 17.85 79.14 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 121.063 -0.589 . . . . 25.0 112.79 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -136.57 144.37 46.97 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -63.8 130.14 26.89 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 116.512 -1.859 . . . . 50.0 113.336 -179.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.65 -24.62 67.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.49 67.85 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.863 -0.608 . . . . 25.0 112.209 178.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -99.04 14.1 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.085 0.469 . . . . 50.0 110.895 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -138.88 164.58 29.3 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.654 . . . . 50.0 112.767 -175.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.74 129.44 56.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.777 -1.194 . . . . 50.0 107.777 175.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 12.7 tt -107.54 132.68 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.5 t -127.84 138.21 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.343 -0.844 . . . . 50.0 110.746 -169.205 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -135.89 134.56 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.342 -1.355 . . . . 50.0 107.342 176.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.98 44.29 28.56 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.213 0.53 . . . . 25.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 59.97 9.71 1.88 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.279 1.585 . . . . 50.0 115.279 -178.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -117.17 134.55 23.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 121.802 -0.561 . . . . 25.0 110.441 178.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 148.27 74.3 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 115.289 -2.674 . . . . 50.0 112.186 178.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.84 112.54 24.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.298 -1.371 . . . . 50.0 107.298 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 56.1 p -111.6 -26.32 9.09 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.536 1.31 . . . . 25.0 114.536 -174.056 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.73 95.13 9.71 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -177.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -67.07 -29.09 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -177.114 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.97 -10.02 59.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.276 0.56 . . . . 50.0 112.168 -177.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -72.78 142.63 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.055 -1.091 . . . . 50.0 108.055 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 86.5 p -79.46 166.89 21.52 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.826 -1.176 . . . . 50.0 107.826 172.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.22 -39.77 93.92 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.095 -0.378 . . . . 50.0 110.021 178.249 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.2 69.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.4 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.6 m -71.13 -18.37 62.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.244 0.461 . . . . 50.0 112.244 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -96.78 -10.58 26.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.214 -0.291 . . . . 50.0 110.214 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.43 20.82 63.47 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -174.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.67 77.21 4.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.941 0.877 . . . . 50.0 110.031 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -71.64 166.93 20.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.007 -1.451 . . . . 50.0 112.666 -178.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -59.25 131.36 50.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.366 -0.834 . . . . 50.0 108.926 172.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.16 70.48 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.203 -0.908 . . . . 25.0 113.079 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.24 167.22 20.57 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.418 1.109 . . . . 50.0 111.49 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.33 142.11 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.676 0.621 . . . . 50.0 112.676 -172.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 162.65 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.643 -0.873 . . . . 50.0 108.643 176.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 122.41 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.671 -0.863 . . . . 50.0 108.671 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -104.61 133.93 48.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.264 -1.384 . . . . 50.0 107.264 177.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -127.02 115.89 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 50.0 111.206 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 125.235 2.445 . . . . 50.0 110.501 176.234 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 . . . . . 0 N--CA 1.443 -0.79 0 N-CA-C 104.468 -2.419 . . . . 25.0 104.468 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -125.95 167.02 15.85 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.255 -0.276 . . . . 50.0 110.255 -176.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.7 tp -112.6 133.53 54.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.555 -0.293 . . . . 50.0 111.028 -177.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.89 145.43 48.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.896 -1.149 . . . . 50.0 107.896 174.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.2 m -99.04 140.41 33.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.04 130.17 73.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.628 -0.878 . . . . 50.0 108.628 -178.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.03 114.22 25.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.575 ' HG ' ' HB2' ' A' ' 138' ' ' SER . 48.1 t -97.5 130.91 44.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -179.208 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.9 t -119.16 131.96 70.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.173 0.511 . . . . 50.0 111.518 -177.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -113.5 152.42 30.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.209 -1.404 . . . . 50.0 107.209 172.458 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -20.39 66.2 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.046 0.45 . . . . 25.0 110.82 174.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -91.1 16.99 8.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.323 -0.853 . . . . 50.0 111.723 -177.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.3 mt 54.49 26.82 7.56 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 179.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.63 25.57 1.23 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.91 0.884 . . . . 25.0 110.093 176.69 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.64 149.07 44.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 50.0 112.131 -169.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.08 157.85 5.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 107.345 -1.354 . . . . 50.0 107.345 -172.049 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -134.82 149.37 50.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 175.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -157.05 175.73 13.69 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.298 -2.112 . . . . 50.0 105.298 -176.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.19 152.11 49.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.656 -0.868 . . . . 50.0 108.656 178.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.2 mt -128.91 147.65 50.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 50.0 110.097 -177.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -99.53 129.32 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.956 -1.498 . . . . 50.0 106.956 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.73 156.27 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.223 -0.658 . . . . 50.0 109.223 -174.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.08 163.57 20.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.639 -0.874 . . . . 50.0 108.639 176.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.48 91.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.27 0.557 . . . . 25.0 109.938 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -92.71 11.78 25.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.543 0.687 . . . . 50.0 112.318 -177.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -64.6 138.33 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.82 144.76 55.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.794 0.294 . . . . 50.0 111.794 -177.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.31 -34.6 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.465 -0.939 . . . . 50.0 108.465 172.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -56.54 -48.32 77.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.419 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.23 -30.81 54.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.478 -0.328 . . . . 50.0 110.753 -177.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.12 -50.35 72.26 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.064 -0.397 . . . . 50.0 110.471 177.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -66.48 -31.69 72.58 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 119.78 -0.768 . . . . 50.0 110.155 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.83 98.63 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.206 0.457 . . . . 25.0 109.86 178.273 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.18 -37.25 80.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.138 -0.319 . . . . 50.0 110.138 176.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.618 -0.512 . . . . 50.0 109.618 176.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -30.99 69.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.881 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.69 -47.29 75.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.681 0.277 . . . . 50.0 110.603 178.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -73.0 -34.35 66.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 50.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.575 ' HB2' ' HG ' ' A' ' 107' ' ' CYS . 72.1 p -83.02 -30.86 27.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -178.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.2 30.78 40.56 Favored Glycine 0 CA--C 1.513 -0.044 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.913 173.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -114.43 152.76 46.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 122.531 -0.394 . . . . 50.0 110.582 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.76 130.18 25.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 117.037 -1.509 . . . . 50.0 112.88 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -178.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.91 58.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 -178.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -120.58 22.95 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 50.0 111.104 -173.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.9 t -144.95 159.22 43.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.849 0.356 . . . . 50.0 111.128 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -132.91 152.64 51.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 173.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.1 tt -115.41 133.35 61.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 -178.05 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -122.97 135.11 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.516 -0.766 . . . . 50.0 110.875 -170.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -137.94 137.59 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.796 -1.187 . . . . 50.0 107.796 178.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.11 41.17 27.26 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.192 0.52 . . . . 25.0 110.753 -176.434 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.9 12.74 3.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.385 1.624 . . . . 50.0 115.385 -178.212 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -119.3 141.33 30.41 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 178.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.11 147.62 48.87 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 115.505 -2.53 . . . . 50.0 111.535 178.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.21 110.91 22.3 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.515 -1.661 . . . . 50.0 106.515 176.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 66.9 p -106.94 -34.83 7.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -173.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -81.99 98.79 8.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.791 0.805 . . . . 25.0 109.276 -175.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.31 -25.82 67.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.006 -176.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.6 -0.45 42.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.34 1.237 . . . . 50.0 114.34 -175.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -91.45 151.51 20.77 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 178.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.5 p -83.85 167.1 17.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.593 -0.892 . . . . 50.0 108.593 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 71.7 mt -68.41 -32.86 73.2 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.988 -0.445 . . . . 50.0 111.034 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.509 174.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 43.7 m -70.78 -16.54 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.788 0.292 . . . . 50.0 111.788 178.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -100.79 -7.26 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.033 -0.358 . . . . 50.0 110.033 176.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.57 22.07 70.78 Favored Glycine 0 C--O 1.239 0.465 0 C-N-CA 121.112 -0.566 . . . . 25.0 111.88 -176.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.93 81.41 1.67 Allowed 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.414 0.626 . . . . 50.0 110.561 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -74.32 164.0 27.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.251 -0.886 . . . . 50.0 112.808 -177.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.47 126.59 22.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.703 -0.681 . . . . 50.0 110.475 173.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.13 -10.07 65.54 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 119.53 -0.595 . . . . 25.0 114.584 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -70.69 160.07 33.3 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 118.294 1.047 . . . . 50.0 109.665 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.96 141.09 47.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 115.833 -0.621 . . . . 50.0 110.207 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.9 160.49 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.886 -1.153 . . . . 50.0 107.886 177.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.57 113.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.292 0.567 . . . . 50.0 109.473 -177.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.18 127.48 35.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.598 -1.63 . . . . 50.0 106.598 178.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.26 110.64 12.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.953 -0.467 . . . . 50.0 111.911 -173.225 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 125.415 2.531 . . . . 50.0 110.775 174.961 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 . . . . . 0 C--O 1.234 0.273 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -136.14 160.6 38.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.329 -0.989 . . . . 50.0 108.329 178.201 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.7 tp -115.26 122.96 47.57 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 -177.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -112.03 152.8 27.74 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.333 -0.988 . . . . 50.0 108.333 177.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -107.93 134.87 50.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 177.28 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.39 126.41 71.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.697 -0.853 . . . . 50.0 108.697 -178.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -112.15 112.25 23.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -97.63 133.55 42.02 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.743 -0.465 . . . . 25.0 109.743 -177.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.06 132.66 70.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 N-CA-C 113.042 0.756 . . . . 50.0 113.042 -175.422 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -120.87 151.33 39.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.427 -2.064 . . . . 50.0 105.427 171.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -70.14 -23.55 63.02 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.077 0.465 . . . . 25.0 111.693 -177.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.47 18.67 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.952 -0.567 . . . . 50.0 111.705 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 mt 59.14 29.5 19.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.458 1.103 . . . . 25.0 112.221 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 m -88.81 25.23 1.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.25 -0.886 . . . . 25.0 109.276 175.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.38 150.01 43.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.827 -1.079 . . . . 50.0 111.309 -174.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.78 151.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.08 -1.081 . . . . 50.0 108.08 -174.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.8 t -128.37 146.23 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 177.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -155.41 174.19 15.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.634 -1.617 . . . . 50.0 106.634 -176.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m -129.99 151.88 50.06 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.279 -0.267 . . . . 50.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.4 mt -131.18 141.84 50.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 50.0 111.884 -176.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -97.57 115.77 28.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.972 -1.013 . . . . 50.0 108.42 177.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.8 163.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 -177.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -90.18 169.28 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.153 -1.054 . . . . 50.0 108.153 175.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.24 76.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.233 0.539 . . . . 25.0 111.63 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.26 3.1 53.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.345 . . . . 50.0 111.755 -176.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -55.18 133.55 49.15 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.134 0.492 . . . . 50.0 111.678 -177.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.43 144.45 54.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 50.0 112.008 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -27.12 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 50.0 110.959 172.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -66.95 -44.34 80.82 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 120.895 0.378 . . . . 50.0 110.018 179.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.05 -32.41 59.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.732 0.301 . . . . 50.0 110.768 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.04 -45.81 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.707 0.632 . . . . 50.0 112.707 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.31 -28.05 68.38 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.18 -0.608 . . . . 50.0 110.542 -179.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.54 66.07 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 176.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -37.92 89.24 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.352 0.596 . . . . 50.0 109.785 176.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 74.5 m -66.4 -37.1 84.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 50.0 110.909 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 178.138 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.6 -45.03 95.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.624 0.602 . . . . 50.0 112.624 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -70.06 -32.97 71.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 50.0 111.786 -178.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.0 p -92.2 -15.61 27.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -175.317 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.56 33.11 75.85 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 114.448 0.539 . . . . 25.0 114.448 177.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 24.9 pt -110.71 156.23 40.94 Favored Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.612 0.967 . . . . 50.0 113.612 -174.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -70.4 121.08 7.65 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 115.835 -2.31 . . . . 50.0 110.755 172.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.2 -36.8 76.0 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.819 -0.551 . . . . 25.0 112.171 -178.471 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.59 -24.7 67.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -177.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.95 15.62 28.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.76 0.314 . . . . 50.0 111.296 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.3 p -132.73 158.06 43.32 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.366 1.247 . . . . 50.0 114.366 -175.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -135.38 151.61 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.423 -0.808 . . . . 50.0 109.48 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -127.9 135.81 61.97 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-O 121.233 0.54 . . . . 25.0 110.396 -175.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.3 153.12 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.855 -0.612 . . . . 50.0 110.617 -176.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -140.66 137.52 33.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.931 -1.877 . . . . 50.0 105.931 178.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 37.8 23.95 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.389 0.614 . . . . 25.0 110.064 -174.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 58.14 22.64 9.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.478 1.288 . . . . 50.0 114.478 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -125.04 145.58 50.79 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 179.043 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.22 146.87 52.37 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 116.951 -1.566 . . . . 50.0 114.798 -175.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.6 mt -103.25 96.76 6.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.185 -0.916 . . . . 50.0 108.621 178.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 39.2 p -112.3 -43.1 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.596 1.702 . . . . 25.0 115.596 -174.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.5 113.72 3.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 -168.173 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -73.82 -7.46 52.3 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 170.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -82.45 3.54 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 48.9 mtt85 -128.67 143.64 50.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.484 0.659 . . . . 50.0 112.59 -178.091 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 67.1 p -88.16 169.65 11.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.943 -1.503 . . . . 50.0 106.943 171.271 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.43 -35.76 81.1 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-O 121.317 0.579 . . . . 50.0 110.862 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.82 69.41 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 121.953 -0.467 . . . . 25.0 111.516 175.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.6 t -70.05 -17.62 63.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.158 0.429 . . . . 50.0 112.158 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -95.78 -7.67 36.5 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.674 -0.491 . . . . 50.0 109.674 175.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.55 21.35 62.2 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.196 -0.762 . . . . 25.0 111.196 -175.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.55 85.7 0.87 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.331 0.565 . . . . 50.0 109.532 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.15 165.34 19.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.634 -0.712 . . . . 50.0 111.945 -178.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.03 126.8 27.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 174.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.74 -12.03 59.36 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.217 -0.902 . . . . 25.0 114.521 -179.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.45 150.46 48.9 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 118.42 1.11 . . . . 50.0 111.46 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.01 125.29 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 50.0 110.003 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.6 t -107.07 140.81 23.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 106.386 -1.709 . . . . 50.0 106.386 179.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.8 mt -111.95 130.03 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.279 -1.008 . . . . 50.0 108.279 -178.088 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.14 134.53 55.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.244 -1.391 . . . . 50.0 107.244 -179.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -123.61 127.95 48.99 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.663 -0.866 . . . . 50.0 108.663 179.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.812 0 CA-C-O 123.39 1.567 . . . . 50.0 109.595 176.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.9 p80 . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 106.863 -1.532 . . . . 25.0 106.863 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -130.07 179.95 5.58 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 106.527 -1.656 . . . . 50.0 106.527 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.32 130.38 53.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 117.949 0.341 . . . . 50.0 111.225 -177.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.82 156.08 40.11 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.567 -0.901 . . . . 50.0 108.567 176.195 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.8 m -109.05 142.29 39.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 177.083 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.15 125.83 69.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.783 -0.821 . . . . 50.0 108.783 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -106.95 111.55 24.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 175.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.45 128.82 44.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.51 124.39 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.76 0.314 . . . . 50.0 110.814 -178.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.482 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 42.3 mtp180 -116.23 146.32 42.44 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.647 -1.612 . . . . 50.0 106.647 176.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -65.1 -14.54 60.76 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.069 0.461 . . . . 25.0 111.647 177.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.38 15.95 3.36 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 124.16 0.984 . . . . 50.0 112.667 -176.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.8 mt 56.05 25.71 9.2 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.331 1.052 . . . . 25.0 112.155 -176.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 18.4 m -99.36 25.87 6.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.966 -1.015 . . . . 25.0 109.203 -179.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -72.32 145.33 47.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.744 -0.662 . . . . 50.0 109.842 -174.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.19 150.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.287 -1.005 . . . . 50.0 108.287 -171.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -125.14 143.61 50.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 176.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.86 170.84 19.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.515 -1.661 . . . . 50.0 106.515 -176.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.8 m -126.09 149.27 49.02 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.709 -0.478 . . . . 50.0 109.709 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 mt -129.41 144.78 51.39 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.787 -0.642 . . . . 50.0 110.982 -176.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -96.19 124.99 40.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.34 -2.096 . . . . 50.0 105.34 173.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.57 155.36 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 107.805 -1.183 . . . . 50.0 107.805 -175.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.49 165.2 23.27 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.976 -0.69 . . . . 50.0 110.09 178.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.84 92.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.153 0.502 . . . . 25.0 109.939 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.38 14.56 25.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.23 0.538 . . . . 50.0 112.045 -176.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.87 128.49 37.13 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 107.627 -1.249 . . . . 50.0 107.627 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.86 152.56 37.18 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.212 -0.662 . . . . 50.0 109.212 -175.263 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.64 -29.59 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.93 -0.481 . . . . 50.0 110.67 176.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -57.62 -48.29 79.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.428 -0.582 . . . . 50.0 109.428 176.301 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -69.57 -37.69 77.09 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.396 -0.82 . . . . 50.0 111.371 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.571 0.582 . . . . 50.0 112.571 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -66.6 -36.89 83.71 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.117 0.484 . . . . 50.0 110.147 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.9 88.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.601 177.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.52 0.676 . . . . 50.0 110.463 178.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.54 -37.19 86.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 50.0 111.152 175.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.322 -0.622 . . . . 25.0 109.322 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 42.9 tp -60.46 -46.02 91.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 50.0 112.345 -177.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -73.81 -40.43 63.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.428 0.529 . . . . 50.0 112.428 -178.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.3 t -85.31 -18.32 34.21 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -173.536 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.05 29.19 74.23 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.369 -0.443 . . . . 25.0 113.888 -179.4 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -129.57 142.48 45.42 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 122.25 -0.559 . . . . 50.0 111.168 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.44 119.26 6.26 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 116.73 -1.713 . . . . 50.0 112.572 177.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.87 67.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.38 73.99 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -88.17 13.91 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.039 0.447 . . . . 50.0 110.94 -177.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.4 m -137.31 159.2 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.752 0.649 . . . . 50.0 112.752 -173.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 141.85 48.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.14 -1.059 . . . . 50.0 108.14 175.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -117.06 138.51 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -177.018 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.0 p -141.54 144.39 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.412 0.685 . . . . 50.0 109.919 -173.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -148.12 137.25 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.971 -1.492 . . . . 50.0 106.971 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.33 42.68 26.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.98 0.419 . . . . 25.0 110.689 -176.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 59.88 9.72 1.83 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.303 1.594 . . . . 50.0 115.303 -179.03 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -116.93 141.57 28.51 Favored Pre-proline 0 N--CA 1.467 0.406 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.265 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.44 152.05 60.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 116.236 -2.042 . . . . 50.0 113.177 -176.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.5 mt -108.93 49.62 0.81 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 177.502 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -94.59 -11.66 29.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.46 -0.791 . . . . 25.0 112.307 -176.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.73 85.83 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.734 0.778 . . . . 25.0 108.938 178.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -62.71 -12.99 27.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 115.308 1.596 . . . . 25.0 115.308 -172.141 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -85.81 8.54 19.63 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.793 1.405 . . . . 50.0 114.793 -174.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -120.49 151.54 39.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.832 -0.542 . . . . 50.0 110.968 -179.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.4 p -85.11 163.21 18.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.41 0.444 . . . . 50.0 110.411 177.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.06 -32.96 73.66 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 121.515 0.674 . . . . 50.0 112.209 -175.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -30.06 70.18 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.545 174.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.1 m -68.5 -16.51 63.91 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.394 0.516 . . . . 50.0 112.394 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -100.41 -4.56 28.73 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.717 -0.475 . . . . 50.0 109.717 177.025 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.08 59.1 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.43 -1.068 . . . . 25.0 110.43 -176.097 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.42 85.41 1.5 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.721 0.772 . . . . 50.0 109.878 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.57 160.86 30.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.625 -1.171 . . . . 50.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.41 128.63 38.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.715 -0.846 . . . . 50.0 108.715 173.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.18 -10.54 63.63 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.506 -0.77 . . . . 25.0 114.217 -178.278 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -70.71 153.66 42.59 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 118.357 1.078 . . . . 50.0 109.35 176.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.83 137.66 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 50.0 109.77 -178.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.24 161.19 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.439 -1.319 . . . . 50.0 107.439 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.5 mt -123.93 133.15 70.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.026 -1.102 . . . . 50.0 108.026 -178.324 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.7 tt -119.65 134.62 55.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.425 -1.694 . . . . 50.0 106.425 176.38 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -126.16 128.46 47.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.113 0.483 . . . . 50.0 110.68 -179.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 125.666 2.65 . . . . 50.0 110.849 177.596 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 p80 . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 104.345 -2.465 . . . . 25.0 104.345 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -123.73 -180.0 4.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.253 -0.647 . . . . 50.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -131.68 130.55 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.864 -0.791 . . . . 50.0 108.864 -177.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -122.95 147.73 46.28 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 177.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 37.9 m -100.27 144.21 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.2 t -125.04 129.28 73.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.468 -1.308 . . . . 50.0 107.468 179.195 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -113.72 106.89 15.03 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.207 -1.034 . . . . 25.0 108.207 176.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 t -96.33 128.08 42.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.63 131.59 70.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.757 0 CA-C-O 121.594 0.711 . . . . 50.0 111.591 -175.042 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -122.62 143.75 49.56 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.938 -1.504 . . . . 50.0 106.938 173.133 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -66.52 -12.94 60.06 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.376 0.509 . . . . 25.0 112.376 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.02 19.2 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.728 -0.669 . . . . 50.0 109.911 -178.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt 54.58 28.78 10.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.677 1.191 . . . . 25.0 112.435 -178.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.56 24.88 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.443 174.514 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.15 147.84 46.24 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 50.0 110.415 -174.071 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.81 149.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 107.054 -1.461 . . . . 50.0 107.054 -174.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -132.19 144.5 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -155.38 175.33 14.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.818 -1.919 . . . . 50.0 105.818 -174.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -129.41 154.3 47.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.983 0.356 . . . . 50.0 110.052 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.7 mt -128.67 144.02 51.07 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.003 0.43 . . . . 50.0 111.575 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -90.89 126.82 36.16 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.928 -1.508 . . . . 50.0 106.928 176.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.42 161.43 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.014 -0.736 . . . . 50.0 109.014 -174.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -90.92 171.31 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 176.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.29 68.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.579 0.704 . . . . 25.0 110.771 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -87.35 1.66 52.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.769 . . . . 50.0 110.881 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.51 130.05 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 50.0 109.715 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.75 151.92 43.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.618 0.247 . . . . 50.0 111.058 -177.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.0 -31.39 72.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.25 0.548 . . . . 50.0 109.961 172.006 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -60.1 -42.17 94.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 50.0 110.523 178.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -78.14 -35.23 49.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.823 0.82 . . . . 50.0 110.175 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.98 -45.15 95.94 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.901 -0.499 . . . . 50.0 111.928 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -68.58 -24.97 64.66 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.217 -0.593 . . . . 50.0 112.074 178.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.83 69.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 176.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.09 -43.3 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.79 -0.569 . . . . 50.0 111.629 177.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -70.92 -25.78 62.91 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.206 -0.998 . . . . 50.0 111.388 -178.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.39 -49.73 65.84 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 175.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.72 -47.02 87.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.504 -0.771 . . . . 50.0 111.992 -178.452 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -69.45 -38.12 77.65 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.832 0.679 . . . . 50.0 112.832 -177.169 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.2 t -89.22 -16.06 32.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.654 0.983 . . . . 25.0 113.654 -176.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.58 31.74 77.06 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.282 -0.485 . . . . 25.0 113.9 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 pp -124.84 135.18 26.39 Favored Pre-proline 0 N--CA 1.468 0.463 0 O-C-N 122.372 -0.487 . . . . 50.0 110.519 -179.418 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.04 129.7 29.73 Favored 'Trans proline' 0 C--O 1.241 0.634 0 C-N-CA 116.82 -1.653 . . . . 50.0 114.268 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.43 -27.6 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.528 . . . . 25.0 111.743 179.086 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -178.688 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -101.79 9.48 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.988 0.366 . . . . 50.0 111.988 -174.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 m -136.97 152.49 50.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.909 1.077 . . . . 50.0 113.909 -173.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -116.34 148.32 40.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.113 -0.494 . . . . 50.0 109.785 -178.654 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.1 tt -126.2 136.58 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.304 0.573 . . . . 25.0 110.829 -176.197 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.9 p -141.7 144.79 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-N 115.782 -0.645 . . . . 50.0 109.577 -173.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -142.62 138.56 30.8 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.218 -1.03 . . . . 50.0 108.218 179.028 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.15 39.88 24.54 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.691 0.758 . . . . 25.0 111.433 -178.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 57.41 20.95 6.39 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.677 -1.147 . . . . 50.0 113.962 -178.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -125.11 143.6 44.7 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 175.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.43 146.33 49.92 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 116.582 -1.812 . . . . 50.0 113.015 -176.191 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 48.1 mt -96.49 64.13 2.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.422 -1.325 . . . . 50.0 107.422 177.015 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.6 p -96.59 -22.57 16.97 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 115.557 1.688 . . . . 25.0 115.557 -173.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.73 76.16 10.24 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 -177.64 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.21 -11.3 20.09 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 115.159 1.54 . . . . 25.0 115.159 -171.293 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.27 -7.19 58.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.542 . . . . 50.0 112.465 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -94.59 152.84 18.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.956 -0.465 . . . . 50.0 111.295 -178.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 80.7 p -79.98 161.58 25.39 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.054 -0.721 . . . . 50.0 109.054 174.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 45.6 mt -65.15 -34.9 79.5 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 121.123 0.487 . . . . 50.0 110.983 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.43 68.74 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.375 175.225 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.1 m -70.32 -16.71 63.03 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.253 0.464 . . . . 50.0 112.253 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -99.08 -3.63 34.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.951 0.405 . . . . 50.0 110.018 176.338 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 75.9 25.48 66.86 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.511 -1.036 . . . . 25.0 110.511 -175.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.2 86.28 3.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.591 -0.892 . . . . 50.0 108.591 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -81.6 166.81 19.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.16 -0.927 . . . . 50.0 110.506 179.015 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.96 127.9 34.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.829 -0.623 . . . . 50.0 110.711 178.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.4 -14.57 62.09 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.331 -0.85 . . . . 25.0 113.059 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -67.43 148.72 51.2 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 118.036 0.918 . . . . 50.0 109.383 178.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -120.05 134.92 62.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 CA-C-N 115.56 -0.745 . . . . 50.0 110.836 -175.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 14.9 m -110.51 159.01 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 107.63 -1.248 . . . . 50.0 107.63 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.4 mt -118.38 131.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 -178.709 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.6 tt -117.07 132.53 56.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.101 -1.814 . . . . 50.0 106.101 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.23 125.44 41.0 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.091 -0.381 . . . . 50.0 110.245 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 124.193 1.949 . . . . 50.0 111.036 177.188 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 106.109 -1.811 . . . . 25.0 106.109 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -129.76 172.08 12.01 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.298 -1.001 . . . . 50.0 108.298 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -121.86 134.03 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.7 mt -122.37 152.0 40.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.767 -1.197 . . . . 50.0 107.767 176.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 m -103.37 135.82 44.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 176.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.36 122.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.166 -1.05 . . . . 50.0 108.166 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -107.78 113.0 25.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.506 -0.77 . . . . 25.0 109.093 -179.096 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.6 125.36 42.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.96 128.44 74.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-O 121.231 0.539 . . . . 50.0 110.842 -176.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -114.7 147.12 40.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 105.653 -1.98 . . . . 50.0 105.653 172.248 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -59.15 -29.21 67.26 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.124 0.786 . . . . 25.0 113.124 -175.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.94 22.24 1.74 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.668 -0.697 . . . . 50.0 112.714 -176.349 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt 55.33 34.09 22.13 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.463 1.105 . . . . 25.0 112.108 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 m -92.8 26.08 2.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.381 -1.281 . . . . 25.0 108.904 176.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.51 151.98 42.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.44 -1.254 . . . . 50.0 112.843 -170.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -149.55 150.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.687 -1.227 . . . . 50.0 107.687 -176.144 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 t -128.42 144.18 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 177.081 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -153.04 174.26 14.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.297 -1.742 . . . . 50.0 106.297 -176.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -128.8 150.8 50.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.83 -0.433 . . . . 50.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.39 143.68 50.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.131 -0.486 . . . . 50.0 110.417 -178.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -103.95 125.05 50.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.31 -1.367 . . . . 50.0 107.31 178.407 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.85 164.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.459 -0.571 . . . . 50.0 109.459 -172.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -80.3 159.04 25.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.357 -1.349 . . . . 50.0 107.357 174.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.72 88.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 176.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -93.15 15.51 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.608 0.718 . . . . 50.0 112.306 -176.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.54 136.68 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.588 -0.893 . . . . 50.0 108.588 178.189 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.25 142.8 56.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.147 -0.345 . . . . 50.0 110.584 -178.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.8 -29.79 70.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.095 -1.076 . . . . 50.0 108.095 172.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.19 -48.32 79.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.489 175.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.23 -31.42 58.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.877 -0.329 . . . . 50.0 110.366 178.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.68 -42.87 99.85 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.714 0.635 . . . . 50.0 112.714 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -65.67 -31.83 73.06 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 119.843 -0.743 . . . . 50.0 110.659 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.0 -37.06 67.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.435 0.636 . . . . 25.0 109.912 177.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.84 -37.16 86.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.148 0.499 . . . . 50.0 110.117 178.472 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.27 -35.23 75.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.823 0.344 . . . . 50.0 110.628 176.311 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -37.26 86.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.954 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.96 -49.81 73.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.395 . . . . 50.0 110.579 178.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.29 -40.12 81.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.085 0.469 . . . . 50.0 112.146 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.0 t -84.89 -15.57 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.325 0.861 . . . . 25.0 113.325 -174.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.21 30.49 67.27 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.153 -0.546 . . . . 25.0 114.289 176.321 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.8 pt -135.44 147.05 60.27 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 109.319 -0.623 . . . . 50.0 109.319 -178.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.94 135.91 46.27 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 116.722 -1.719 . . . . 50.0 114.519 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.53 -29.26 70.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.367 0.603 . . . . 25.0 109.686 175.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.22 65.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.276 -179.343 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -102.64 11.36 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.893 0.331 . . . . 50.0 111.893 -176.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.5 p -130.25 157.79 41.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.613 0.721 . . . . 50.0 112.0 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -117.24 131.09 56.91 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.567 -0.901 . . . . 50.0 108.567 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.57 129.46 68.11 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.612 -0.722 . . . . 25.0 109.506 -176.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 66.3 t -132.76 138.71 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.811 0.844 . . . . 50.0 110.614 -169.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -139.38 140.11 37.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.128 -1.064 . . . . 50.0 108.128 176.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 42.95 24.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.219 0.608 . . . . 25.0 111.502 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 60.77 18.71 8.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.761 1.763 . . . . 50.0 115.761 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -130.25 140.09 37.61 Favored Pre-proline 0 N--CA 1.473 0.72 0 O-C-N 121.14 -0.975 . . . . 25.0 109.436 174.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.05 146.16 57.58 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 116.071 -2.152 . . . . 50.0 110.976 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.63 74.08 9.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.362 -0.977 . . . . 50.0 108.362 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 37.1 p -72.29 -35.69 68.75 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -174.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -82.69 98.79 9.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.393 0.616 . . . . 25.0 109.906 -173.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -70.85 -24.54 62.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.744 -178.129 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -73.0 -18.9 61.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 50.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.68 148.05 38.97 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.303 -0.629 . . . . 50.0 109.303 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -84.27 168.32 15.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 170.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.25 -35.37 80.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.918 -0.489 . . . . 50.0 110.8 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.25 71.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.826 175.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.9 m -70.69 -16.47 62.8 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.089 0.403 . . . . 50.0 112.089 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.16 -9.38 27.97 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.99 -0.374 . . . . 50.0 109.99 174.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.56 26.62 56.44 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.967 -0.853 . . . . 25.0 110.967 -175.208 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.69 82.05 2.66 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 121.695 0.759 . . . . 50.0 110.432 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -69.44 160.55 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.738 -1.119 . . . . 50.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -57.42 129.23 40.87 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.071 -0.968 . . . . 50.0 110.116 174.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.72 -9.89 73.04 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.045 -0.98 . . . . 25.0 113.702 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 162.26 28.68 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 118.336 1.068 . . . . 50.0 111.67 -179.462 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.37 130.63 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.086 0.773 . . . . 50.0 113.086 -171.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.9 t -107.48 137.49 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.406 -1.331 . . . . 50.0 107.406 177.103 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.8 mt -109.26 126.73 66.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.925 -1.139 . . . . 50.0 107.925 179.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.7 tt -118.15 133.34 55.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.151 -1.425 . . . . 50.0 107.151 -178.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -119.25 132.56 55.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.196 0.522 . . . . 50.0 111.805 -178.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 114.881 -1.054 . . . . 50.0 108.655 173.573 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.49 0 N-CA-C 102.308 -3.219 . . . . 25.0 102.308 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -142.72 168.93 18.55 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.08 -0.711 . . . . 50.0 109.08 -176.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.05 130.64 53.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 -178.331 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -121.06 148.77 43.7 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.212 -1.033 . . . . 50.0 108.212 177.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -99.53 143.38 29.83 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.836 -1.172 . . . . 25.0 107.836 178.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -125.11 129.46 73.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.258 -1.386 . . . . 50.0 107.258 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -119.49 110.85 17.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.3 m -97.56 124.22 41.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -114.18 132.74 62.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.066 0.46 . . . . 50.0 111.722 -174.317 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -116.86 145.63 43.44 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 105.612 -1.996 . . . . 50.0 105.612 170.209 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.89 -9.15 57.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.149 0.5 . . . . 25.0 110.581 176.381 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -99.7 25.23 7.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.917 -1.038 . . . . 50.0 110.952 -173.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.82 38.57 26.98 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 25.0 113.539 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.65 23.53 14.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.224 -178.716 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -72.18 153.21 41.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.797 0.808 . . . . 50.0 113.153 -171.157 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.8 152.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.633 -1.617 . . . . 50.0 106.633 -177.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -139.19 148.16 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.641 -1.244 . . . . 25.0 107.641 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -157.73 177.64 11.15 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.872 -1.899 . . . . 50.0 105.872 -176.389 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.3 m -129.39 151.07 50.43 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.306 -0.627 . . . . 50.0 109.306 179.109 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.1 mt -124.81 146.44 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.405 0.441 . . . . 50.0 109.996 -177.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.51 124.14 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.906 -1.516 . . . . 50.0 106.906 178.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.1 m -144.19 165.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.01 -171.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.546 -0.909 . . . . 50.0 108.546 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.05 80.59 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.87 -0.519 . . . . 25.0 109.986 175.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -94.33 13.46 23.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.507 0.67 . . . . 50.0 112.076 -176.676 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -63.73 129.55 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 50.0 108.338 178.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.25 148.15 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.487 -0.324 . . . . 50.0 110.655 -177.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.2 -31.36 72.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.643 -0.423 . . . . 50.0 110.621 175.387 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.23 -48.29 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.494 -0.558 . . . . 50.0 109.494 177.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.37 -31.56 65.69 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 116.074 -0.512 . . . . 50.0 111.44 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.1 -43.47 95.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.78 -0.575 . . . . 50.0 112.089 177.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -68.09 -36.17 79.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.188 0.518 . . . . 50.0 109.73 179.181 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.6 94.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.995 -1.002 . . . . 25.0 110.573 176.122 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.88 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.554 0.692 . . . . 50.0 109.726 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 45.9 t -62.57 -42.84 99.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.863 -0.608 . . . . 50.0 110.927 176.051 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.92 -42.1 98.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.32 -48.17 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.452 . . . . 50.0 111.987 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -30.52 59.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.52 0.933 . . . . 50.0 113.52 -176.825 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.0 p -87.42 -26.23 23.39 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -176.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.68 10.7 83.17 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.767 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.32 141.02 26.53 Favored Pre-proline 0 N--CA 1.47 0.541 0 CA-C-N 117.746 0.773 . . . . 50.0 109.233 178.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.5 127.74 22.69 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 115.289 1.226 . . . . 50.0 115.289 -175.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.63 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 174.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.07 68.99 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.015 -0.539 . . . . 25.0 111.635 178.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -101.23 12.23 37.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.539 -0.3 . . . . 50.0 110.514 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.1 m -129.68 160.18 34.16 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 115.289 1.589 . . . . 50.0 115.289 -171.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -133.49 153.52 51.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.23 -1.396 . . . . 50.0 107.23 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.8 tt -128.06 137.8 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-O 120.971 0.415 . . . . 25.0 110.376 -174.035 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.77 146.12 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.278 0.631 . . . . 50.0 109.595 -173.453 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -147.51 139.89 24.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 179.457 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.41 41.61 25.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.264 0.554 . . . . 25.0 110.655 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 60.16 13.96 4.2 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.967 1.469 . . . . 50.0 114.967 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -126.62 143.74 47.38 Favored Pre-proline 0 N--CA 1.472 0.633 0 O-C-N 121.78 -0.575 . . . . 25.0 110.25 178.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.09 152.28 45.44 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 115.802 -2.332 . . . . 50.0 112.967 -176.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 53.6 mt -93.48 61.28 3.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 50.0 107.196 176.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -39.18 70.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -172.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -79.74 95.76 6.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 -175.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -70.52 -20.08 62.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.194 -0.912 . . . . 25.0 112.855 -174.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -83.01 -4.52 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.506 0.558 . . . . 50.0 112.506 -177.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.21 149.22 25.24 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.3 m -79.58 164.83 23.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.77 -0.456 . . . . 50.0 109.77 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.95 -38.96 87.73 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.309 0.576 . . . . 50.0 111.032 177.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.68 -30.13 67.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.884 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.5 t -70.97 -17.41 62.66 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.201 0.445 . . . . 50.0 112.201 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -100.28 -5.41 27.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.344 -0.613 . . . . 50.0 109.344 175.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.24 17.43 71.71 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.504 -0.638 . . . . 25.0 111.504 -176.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 18.4 mt -74.21 84.18 1.86 Allowed 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.203 0.525 . . . . 50.0 110.169 -178.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.31 170.46 10.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 50.0 111.25 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.23 125.85 22.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 50.0 110.397 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 106.31 -17.71 40.01 Favored Glycine 0 CA--C 1.517 0.192 0 CA-C-N 115.171 -0.922 . . . . 25.0 113.563 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.07 156.79 38.06 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 117.754 0.777 . . . . 50.0 110.44 177.341 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.82 135.47 62.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.447 -0.797 . . . . 50.0 109.634 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.96 158.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 107.601 -1.259 . . . . 50.0 107.601 177.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.46 129.58 75.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.059 -1.089 . . . . 50.0 108.059 -178.396 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.41 139.66 49.31 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.806 -1.553 . . . . 50.0 106.806 177.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -122.15 127.25 49.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.083 -0.71 . . . . 50.0 109.083 176.258 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 124.114 1.912 . . . . 50.0 109.183 173.578 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 105.71 -1.959 . . . . 25.0 105.71 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -138.62 159.57 41.77 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 105.909 -1.885 . . . . 50.0 105.909 177.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -114.61 129.27 56.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.656 -0.247 . . . . 50.0 110.62 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.29 152.58 41.24 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 108.232 -1.025 . . . . 50.0 108.232 177.253 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.8 m -102.2 142.56 33.26 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.1 127.6 72.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.69 -1.226 . . . . 50.0 107.69 176.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -114.98 115.0 26.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 179.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.9 t -104.12 116.59 32.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.864 0.364 . . . . 25.0 111.089 -178.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.0 t -98.57 128.55 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.354 -0.61 . . . . 50.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -109.77 150.59 28.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.863 -1.903 . . . . 50.0 105.863 171.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -53.01 -40.52 63.91 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -178.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.28 22.8 1.41 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.098 1.147 . . . . 50.0 114.098 -173.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 114' ' ' GLU . 56.7 mt 60.37 26.24 15.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.35 1.071 . . . . 25.0 110.836 -179.412 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -85.53 25.95 0.99 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.273 -1.33 . . . . 25.0 108.547 175.449 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 112' ' ' LEU . 15.3 pt-20 -72.39 155.85 39.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.565 -1.198 . . . . 50.0 111.798 -171.086 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.28 156.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.143 -1.429 . . . . 50.0 107.143 -174.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -138.78 149.66 45.25 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -156.33 175.66 13.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.366 -2.087 . . . . 50.0 105.366 -176.085 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.2 m -125.87 151.71 46.49 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 39.0 mt -123.55 139.92 53.52 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.177 0.513 . . . . 50.0 110.433 -178.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -104.1 112.91 26.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.538 -1.652 . . . . 50.0 106.538 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.2 m -137.12 166.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.486 -0.325 . . . . 50.0 110.264 -172.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -81.31 159.69 24.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 175.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.83 88.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 176.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -92.28 13.68 18.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.384 0.612 . . . . 50.0 112.452 -176.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -63.05 134.12 55.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.204 -1.036 . . . . 50.0 108.204 177.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.79 147.67 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.223 -0.298 . . . . 50.0 110.98 -178.119 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -37.41 85.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.421 -0.955 . . . . 50.0 108.421 172.028 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -56.17 -43.56 78.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.159 0.504 . . . . 50.0 111.357 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.95 -33.21 51.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.421 -0.354 . . . . 50.0 110.066 -179.16 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.47 -44.89 89.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 179.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -27.89 69.16 Favored 'General case' 0 C--O 1.216 -0.698 0 C-N-CA 120.347 -0.541 . . . . 50.0 109.738 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -40.3 62.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.48 0.657 . . . . 25.0 109.673 175.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.57 -39.66 94.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.141 -177.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.2 p -73.66 -25.33 60.21 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.718 -0.614 . . . . 50.0 111.265 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -35.52 77.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 178.668 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.53 -47.57 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.465 177.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.59 -37.93 80.25 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.184 0.516 . . . . 50.0 111.831 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.1 t -78.83 -24.26 44.57 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.054 0.454 . . . . 25.0 111.308 -177.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.67 60.49 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.104 -0.569 . . . . 25.0 112.711 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -134.48 148.15 66.36 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.706 -0.479 . . . . 50.0 109.706 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -67.13 135.78 38.5 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 115.541 -2.506 . . . . 50.0 111.397 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -24.71 67.71 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.143 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.415 0.524 . . . . 25.0 112.415 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -100.95 12.81 36.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.401 0.62 . . . . 50.0 109.868 -179.43 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.4 t -139.72 167.73 21.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.076 -0.511 . . . . 50.0 109.803 -173.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -121.28 136.4 54.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.587 -1.264 . . . . 50.0 107.587 175.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.3 tt -115.67 132.38 65.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -176.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.3 153.04 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.842 -0.617 . . . . 50.0 110.015 -176.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -139.92 135.1 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.68 -2.341 . . . . 50.0 104.68 177.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.11 40.54 28.82 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.528 0.518 . . . . 25.0 110.059 -172.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 58.18 14.57 2.84 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.062 1.504 . . . . 50.0 115.062 -178.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -113.32 143.18 28.8 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 179.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.97 145.88 63.25 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 116.172 -2.085 . . . . 50.0 113.006 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 17.3 mt -95.08 111.46 23.27 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.656 -1.609 . . . . 50.0 106.656 178.193 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 73.3 p -122.68 -31.74 3.67 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.136 1.532 . . . . 25.0 115.136 -172.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -85.27 77.99 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -176.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -61.42 -22.7 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 -171.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.44 -4.04 49.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.638 0.606 . . . . 50.0 112.638 -179.064 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.52 151.49 22.49 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.88 -0.785 . . . . 50.0 108.88 178.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 70.4 p -83.19 166.46 18.59 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.643 -0.503 . . . . 50.0 109.643 175.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.33 -31.21 71.33 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.313 0.578 . . . . 50.0 111.094 -178.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.89 -30.15 70.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.625 174.389 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.1 m -71.25 -16.65 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.624 0.231 . . . . 50.0 111.624 178.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -98.9 -2.7 36.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.482 -0.562 . . . . 50.0 109.482 176.134 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 72.51 27.78 68.87 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.954 -0.858 . . . . 25.0 110.954 -177.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.38 80.32 2.45 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 121.782 0.801 . . . . 50.0 110.662 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -72.33 162.47 29.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.652 -1.158 . . . . 50.0 112.389 -179.459 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.49 132.9 40.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.753 0.787 . . . . 50.0 110.323 178.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 89.11 -1.59 83.0 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.523 -0.762 . . . . 25.0 113.286 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.51 168.56 19.8 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.564 1.182 . . . . 50.0 110.559 176.028 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.86 137.09 55.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 122.5 1.143 . . . . 50.0 112.848 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.54 142.15 27.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.436 -1.691 . . . . 50.0 106.436 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 91.7 mt -116.49 129.64 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.192 -0.669 . . . . 50.0 109.192 -176.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 55.6 tp -114.82 135.89 53.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 -179.475 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -132.49 106.59 7.94 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.352 0.871 . . . . 50.0 113.352 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 124.767 2.222 . . . . 50.0 110.345 173.813 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.7 p80 . . . . . 0 CA--C 1.521 -0.153 0 N-CA-C 105.836 -1.912 . . . . 25.0 105.836 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -144.57 144.87 31.52 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.449 0.642 . . . . 50.0 111.766 178.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.378 -0.971 . . . . 50.0 108.378 -177.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -123.63 154.89 38.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.639 -0.874 . . . . 50.0 108.639 -178.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -103.73 139.95 38.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.06 123.09 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.234 -1.024 . . . . 50.0 108.234 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -106.61 116.45 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 177.162 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.5 124.28 41.67 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.1 128.11 70.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.627 -0.715 . . . . 50.0 109.491 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.544 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 54.5 mtp180 -124.06 143.57 50.36 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.67 -0.863 . . . . 50.0 108.67 177.52 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -65.82 -9.26 27.21 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.066 177.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.5 16.0 19.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.346 0.659 . . . . 50.0 111.502 -174.281 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.9 mt 56.77 35.66 26.56 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.724 1.249 . . . . 25.0 110.897 -177.263 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.8 m -106.0 26.04 10.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 113.614 -1.63 . . . . 25.0 111.831 -176.459 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.544 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 5.6 mp0 -72.11 147.96 46.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.532 0.682 . . . . 50.0 111.962 -169.118 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -151.88 150.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.19 -1.411 . . . . 50.0 107.19 -177.279 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.6 t -129.11 144.71 51.29 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 177.887 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -153.99 171.2 19.41 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.406 -1.331 . . . . 50.0 107.406 -176.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.8 p -119.21 146.92 44.79 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.211 -0.663 . . . . 50.0 109.211 179.455 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -121.74 142.84 49.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 50.0 110.185 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -102.23 115.66 31.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.983 -1.008 . . . . 50.0 108.609 -178.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.75 168.14 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 50.0 111.449 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -90.56 163.15 14.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.503 -1.295 . . . . 50.0 107.503 172.35 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.48 94.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.631 0.253 . . . . 25.0 111.501 178.188 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.8 14.43 19.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.414 0.626 . . . . 50.0 112.321 -175.115 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.56 128.88 38.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.549 -0.908 . . . . 50.0 108.549 177.479 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.76 148.67 46.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.927 0.394 . . . . 50.0 111.942 -176.171 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.44 -30.04 71.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 173.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -59.27 -42.58 91.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.999 -0.546 . . . . 50.0 110.91 176.143 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -77.87 -33.85 51.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.234 -0.654 . . . . 50.0 109.234 -179.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.21 -40.26 96.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.655 0.613 . . . . 50.0 112.655 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -66.19 -31.0 71.57 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.757 -0.777 . . . . 50.0 110.811 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.82 64.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.598 . . . . 25.0 109.676 176.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.75 -43.36 93.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.004 -179.559 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.9 p -74.86 -25.49 59.01 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.265 -0.574 . . . . 50.0 111.173 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.1 -44.17 85.13 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 175.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.25 -46.8 85.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 50.0 111.855 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.09 -36.37 72.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 50.0 112.413 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.6 t -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.998 0.428 . . . . 25.0 111.824 -177.578 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.56 13.18 82.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 121.093 -0.575 . . . . 25.0 113.154 179.242 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.8 pp -128.71 140.49 38.66 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 122.465 -0.432 . . . . 50.0 110.273 -179.662 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.29 135.64 47.57 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 117.404 -1.264 . . . . 50.0 115.267 -176.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -27.16 68.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.673 -0.694 . . . . 25.0 109.574 173.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.98 -29.35 66.42 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.002 -0.545 . . . . 25.0 112.334 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -95.88 15.08 21.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.725 0.774 . . . . 50.0 110.159 -177.166 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 70.5 p -146.71 -179.29 6.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 50.0 110.546 -174.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -129.32 148.01 51.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.448 -1.316 . . . . 50.0 107.448 178.46 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.4 tt -124.62 127.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 -176.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.18 133.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.534 -0.757 . . . . 50.0 111.131 -169.094 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -129.88 136.2 49.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.611 -1.255 . . . . 50.0 107.611 175.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 44.44 25.89 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.455 0.472 . . . . 25.0 111.015 -178.589 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 63.0 8.46 3.21 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.737 1.755 . . . . 50.0 115.737 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.22 139.01 26.94 Favored Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 121.582 -0.698 . . . . 25.0 110.173 178.613 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.37 149.27 56.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 116.284 -2.011 . . . . 50.0 111.757 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.92 98.01 10.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.199 -0.667 . . . . 50.0 109.199 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.9 p -104.26 -19.99 13.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.904 1.076 . . . . 25.0 113.904 -175.497 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.87 81.91 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.289 0.566 . . . . 25.0 109.721 -176.038 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -53.24 -38.29 62.85 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.553 1.316 . . . . 25.0 114.553 -175.15 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -82.11 -0.59 45.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 114.212 1.19 . . . . 50.0 114.212 -176.455 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -77.41 145.32 37.26 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 105.832 -1.914 . . . . 50.0 105.832 172.584 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 58.2 p -79.73 163.72 24.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.379 -1.341 . . . . 50.0 107.379 171.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.17 -33.54 76.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.979 0.419 . . . . 50.0 110.106 -179.327 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.2 71.23 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.005 -0.434 . . . . 25.0 110.786 176.168 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.1 m -70.89 -16.47 62.69 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.709 0.29 . . . . 50.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -97.39 -5.92 35.21 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.611 -0.515 . . . . 50.0 109.611 175.672 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.99 20.87 56.95 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-O 119.496 -0.614 . . . . 25.0 113.813 -178.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.96 84.89 0.97 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 121.724 0.773 . . . . 50.0 110.258 178.482 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -71.73 158.18 36.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.905 -1.043 . . . . 50.0 108.222 173.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -57.84 132.62 53.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.762 -0.829 . . . . 50.0 108.762 175.418 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.31 -13.33 64.63 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.462 -0.79 . . . . 25.0 113.912 -178.186 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.03 157.24 35.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.166 0.983 . . . . 50.0 110.311 177.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.11 136.54 60.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.979 0.895 . . . . 50.0 111.925 -177.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.72 139.75 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.22 -1.4 . . . . 50.0 107.22 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.08 121.57 61.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.686 -0.857 . . . . 50.0 108.686 -179.71 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 tt -104.42 131.73 51.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 105.292 -2.114 . . . . 50.0 105.292 179.232 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -129.72 121.52 27.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.701 0.682 . . . . 50.0 112.636 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 124.704 2.193 . . . . 50.0 111.264 176.861 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -139.14 161.79 36.54 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.168 -1.049 . . . . 50.0 108.168 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -110.86 133.0 53.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.707 -0.479 . . . . 50.0 109.707 -178.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.18 150.23 48.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 177.575 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.4 m -96.58 140.43 31.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.8 t -125.15 124.65 67.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.363 -0.977 . . . . 50.0 108.363 178.317 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -112.75 111.83 22.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -97.49 130.29 44.59 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -178.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.7 t -118.94 133.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.639 -0.504 . . . . 50.0 109.639 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 -117.41 148.99 41.27 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.344 -1.725 . . . . 50.0 106.344 171.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.92 -31.42 70.94 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.671 0.272 . . . . 25.0 111.338 -179.479 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.08 27.6 0.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.629 0.603 . . . . 50.0 112.629 -177.319 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.8 mt 56.87 26.32 11.49 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.545 1.138 . . . . 25.0 113.708 177.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.47 25.83 1.36 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.798 0.839 . . . . 25.0 111.509 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -72.46 150.4 43.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.532 -0.758 . . . . 50.0 112.172 -170.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.91 157.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 107.258 -1.386 . . . . 50.0 107.258 -174.156 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.2 t -138.26 147.55 43.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 177.163 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -159.34 -178.47 7.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.698 -1.593 . . . . 50.0 106.698 -177.148 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -130.19 151.73 50.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.872 -0.418 . . . . 50.0 109.872 178.325 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.08 147.62 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.353 0.408 . . . . 50.0 110.094 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -102.62 127.6 49.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 50.0 106.808 176.082 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.24 166.9 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.395 -0.366 . . . . 50.0 110.285 -174.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.04 163.05 22.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.423 -0.955 . . . . 50.0 108.423 172.384 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.71 0.29 . . . . 25.0 110.816 177.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -96.89 19.58 12.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.683 0.754 . . . . 50.0 112.414 -174.201 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.41 127.6 32.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 177.038 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.76 152.19 45.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.656 0.265 . . . . 50.0 111.198 -176.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.417 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.6 mm? -68.28 -27.04 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.188 -0.32 . . . . 50.0 111.16 175.018 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -65.6 -45.42 83.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.207 -0.664 . . . . 50.0 109.207 175.572 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.01 -41.07 78.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.655 0.74 . . . . 50.0 109.36 178.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.58 -42.81 97.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.526 0.936 . . . . 50.0 113.526 -178.193 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.417 HH21 ' HB3' ' A' ' 127' ' ' LEU . 20.7 ptp180 -69.95 -27.89 65.11 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 119.734 -0.787 . . . . 50.0 111.166 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.13 66.19 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 175.406 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.8 -40.15 95.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.62 0.724 . . . . 50.0 109.351 177.497 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.37 -42.35 96.22 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.255 176.339 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.13 -41.02 95.96 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 122.447 0.299 . . . . 25.0 110.573 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.89 -47.82 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 50.0 110.944 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -69.39 -41.51 76.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.412 0.625 . . . . 50.0 112.059 -177.029 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.8 t -83.28 -20.34 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.49 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.02 179.508 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.2 pp -126.87 140.69 38.36 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 122.592 -0.358 . . . . 50.0 110.469 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.14 125.91 16.79 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 117.319 -1.321 . . . . 50.0 113.744 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.59 69.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 25.0 110.09 176.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.9 -25.53 68.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.884 -0.598 . . . . 25.0 112.371 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -99.31 19.37 15.58 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.182 0.515 . . . . 50.0 110.007 -178.075 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.42 ' HG ' HD23 ' A' ' 174' ' ' LEU . 4.2 t -136.73 161.08 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 116.027 1.862 . . . . 50.0 116.027 -171.29 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.98 154.33 44.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.091 -1.448 . . . . 50.0 107.091 172.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.8 tt -128.11 133.92 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 109.781 -0.452 . . . . 25.0 109.781 -174.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.34 138.92 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.819 0.848 . . . . 50.0 111.2 -169.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -135.54 136.77 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.419 -1.326 . . . . 50.0 107.419 175.745 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.28 43.87 23.18 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.48 0.487 . . . . 25.0 111.536 -178.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 61.09 13.54 4.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.764 1.765 . . . . 50.0 115.764 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.0 134.65 24.41 Favored Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 121.632 -0.668 . . . . 25.0 109.725 175.916 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.26 145.74 55.1 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 116.316 -1.989 . . . . 50.0 111.608 179.563 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -90.29 73.83 7.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 28.7 p -68.84 -35.34 76.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.178 -0.919 . . . . 25.0 112.611 -174.466 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.28 92.21 8.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 -175.567 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -67.82 -24.2 65.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.519 -0.764 . . . . 25.0 112.898 -175.231 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -81.17 -5.19 57.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.261 0.467 . . . . 50.0 112.261 -177.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -88.62 148.59 23.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.847 -1.168 . . . . 50.0 107.847 177.2 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 89.3 p -86.65 167.73 14.25 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.502 0.556 . . . . 50.0 112.502 -178.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.96 -41.22 99.45 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.504 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.37 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.085 -0.384 . . . . 25.0 110.934 176.484 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 66.8 m -68.53 -17.97 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.224 -0.298 . . . . 50.0 111.693 178.092 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.94 -4.9 25.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 50.0 110.204 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.6 25.13 51.59 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-O 119.679 -0.511 . . . . 25.0 114.183 -179.232 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.9 84.61 0.95 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.129 0.965 . . . . 50.0 111.174 178.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -67.37 156.21 37.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.322 -0.853 . . . . 50.0 111.641 176.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.26 130.29 34.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 50.0 109.761 173.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.65 -0.65 74.17 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.89 -0.596 . . . . 25.0 113.848 179.501 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 174.72 10.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.328 1.064 . . . . 50.0 110.55 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.13 139.56 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.975 0.893 . . . . 50.0 113.238 -173.764 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.2 t -114.19 138.03 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 107.583 -1.265 . . . . 50.0 107.583 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.1 mp -109.49 123.52 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.652 -0.87 . . . . 50.0 108.652 -178.553 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.42 HD23 ' HG ' ' A' ' 145' ' ' SER . 1.8 tt -109.89 137.71 47.29 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.179 -1.045 . . . . 50.0 108.179 179.436 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -126.98 111.48 14.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.253 0.549 . . . . 50.0 110.44 -179.638 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 123.68 1.705 . . . . 50.0 111.366 -177.055 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 p80 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 104.202 -2.518 . . . . 25.0 104.202 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -139.66 168.56 19.55 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.164 -1.05 . . . . 50.0 108.164 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 tp -126.11 130.77 51.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.299 -0.26 . . . . 50.0 110.299 -177.224 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.95 140.94 51.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.413 -0.958 . . . . 50.0 108.413 177.169 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.4 m -93.35 138.01 32.11 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 177.485 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.3 t -125.17 125.11 68.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.394 -0.965 . . . . 50.0 108.394 179.443 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -110.52 117.18 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 177.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.51 ' HG ' ' HB2' ' A' ' 138' ' ' SER . 44.7 t -100.99 126.42 47.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 25.0 110.222 179.337 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.5 t -112.05 128.24 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.322 -0.854 . . . . 50.0 110.989 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -117.96 144.82 45.18 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.976 -1.861 . . . . 50.0 105.976 168.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -66.97 -12.22 59.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.194 0.521 . . . . 25.0 110.911 176.005 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.48 16.52 8.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.849 -1.069 . . . . 50.0 111.581 -176.028 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.8 mt 56.19 30.48 16.61 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.266 1.027 . . . . 25.0 113.064 179.311 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 26.19 5.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.491 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -72.55 145.57 47.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.281 -0.872 . . . . 50.0 109.385 -166.294 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -149.97 144.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.792 -1.094 . . . . 50.0 109.541 -172.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.1 t -124.77 143.17 50.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 177.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.87 174.0 14.64 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.485 -2.043 . . . . 50.0 105.485 -177.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -135.35 142.45 45.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.758 -0.83 . . . . 50.0 108.758 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.79 143.36 45.21 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.604 0.565 . . . . 50.0 110.905 -176.675 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -102.27 120.38 40.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.134 -1.802 . . . . 50.0 106.134 177.111 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.88 167.33 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.126 -0.488 . . . . 50.0 109.901 -171.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.34 162.03 22.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 50.0 107.625 174.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 176.014 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.79 17.28 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.605 0.716 . . . . 50.0 112.009 -176.749 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -65.81 131.73 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.427 -0.953 . . . . 50.0 108.427 177.51 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.37 149.01 50.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.033 0.133 . . . . 50.0 110.662 -176.03 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.532 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.3 mm? -68.5 -27.05 65.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.766 -0.584 . . . . 50.0 110.573 174.752 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -66.47 -42.51 87.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.427 0.632 . . . . 50.0 109.498 176.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -41.1 68.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.714 0.769 . . . . 50.0 109.484 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.64 -46.49 88.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.893 0.701 . . . . 50.0 112.893 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.532 HH21 ' HB3' ' A' ' 127' ' ' LEU . 19.7 ptp180 -68.4 -27.9 66.63 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 119.964 -0.694 . . . . 50.0 111.22 -179.338 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.08 78.12 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 175.48 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.14 -38.65 91.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.797 -0.446 . . . . 50.0 109.797 176.726 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.56 -37.44 87.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.214 -0.304 . . . . 50.0 110.998 177.592 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.03 -42.44 97.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.5 -44.49 96.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.81 -0.632 . . . . 50.0 111.737 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.45 -36.17 73.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.398 0.518 . . . . 50.0 112.398 -178.83 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.51 ' HB2' ' HG ' ' A' ' 107' ' ' CYS . 77.2 p -87.54 -20.69 26.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -175.091 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.05 30.18 76.45 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.064 -0.589 . . . . 25.0 114.556 176.27 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 pp -124.74 146.27 52.37 Favored Pre-proline 0 N--CA 1.47 0.526 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -66.13 124.79 13.07 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 116.082 -2.145 . . . . 50.0 112.053 178.073 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -26.47 68.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 25.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.16 -22.87 67.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -99.62 10.14 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 50.0 110.738 -178.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 p -130.77 171.47 13.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 115.021 1.489 . . . . 50.0 115.021 -170.387 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.1 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.603 -1.258 . . . . 50.0 107.603 174.314 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.08 136.17 60.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 -176.507 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.4 m -133.78 152.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.178 0.513 . . . . 50.0 111.377 -176.875 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -139.21 137.36 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.056 -2.572 . . . . 50.0 104.056 174.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 35.22 17.25 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.274 0.559 . . . . 25.0 110.345 -173.643 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 58.91 20.0 7.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.762 1.393 . . . . 50.0 114.762 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -120.2 142.17 33.12 Favored Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 176.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -72.29 144.9 42.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 116.704 -1.731 . . . . 50.0 114.33 -175.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.85 67.32 8.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.31 -0.996 . . . . 50.0 108.31 177.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 40.2 p -70.83 -28.49 64.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.812 -176.574 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -85.37 112.98 21.33 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 -178.452 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -94.77 -16.83 22.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.85 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.82 -32.35 35.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.071 0.463 . . . . 50.0 109.818 -176.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -56.26 149.83 15.58 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.931 -0.577 . . . . 50.0 110.756 175.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -89.18 170.2 10.81 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 107.649 -1.241 . . . . 50.0 107.649 170.178 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.21 -33.74 76.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.229 0.537 . . . . 50.0 110.132 -179.435 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.88 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.477 176.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 14.2 m -68.65 -16.51 63.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.737 0.643 . . . . 50.0 112.737 179.002 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -102.03 -6.28 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 50.0 110.439 175.656 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.36 24.91 71.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -174.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.84 80.41 1.61 Allowed 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.638 0.733 . . . . 50.0 109.724 -178.754 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -76.15 165.81 24.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.035 -0.984 . . . . 50.0 112.033 -177.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.47 128.48 34.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.346 -0.843 . . . . 50.0 108.931 172.07 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.19 -11.6 58.58 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.449 -0.796 . . . . 25.0 113.579 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.18 159.54 31.47 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 118.067 0.933 . . . . 50.0 109.901 176.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -126.28 137.52 57.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.97 0.891 . . . . 50.0 110.71 -177.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.43 144.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.041 -1.466 . . . . 50.0 107.041 -177.278 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.9 mt -119.52 129.23 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.978 -0.749 . . . . 50.0 108.978 -177.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.6 tt -117.98 135.42 54.16 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.493 -1.669 . . . . 50.0 106.493 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -131.13 128.55 40.35 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.574 0.625 . . . . 50.0 112.144 -179.06 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 125.854 2.74 . . . . 50.0 111.706 177.534 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.51 165.78 25.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.512 -0.921 . . . . 50.0 108.512 179.399 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -117.5 137.76 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.237 -0.282 . . . . 50.0 110.237 -174.634 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.19 153.1 40.53 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.098 -1.075 . . . . 50.0 108.098 174.114 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -108.45 142.6 38.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.273 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.58 131.93 72.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.553 -1.277 . . . . 50.0 107.553 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -116.23 116.49 27.88 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 175.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.8 t -97.52 125.05 41.99 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -179.434 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.09 130.99 63.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.743 0.783 . . . . 50.0 111.788 -176.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -124.12 141.11 52.33 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 105.154 -2.165 . . . . 50.0 105.154 172.608 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -68.03 -13.79 62.47 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.124 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -95.63 22.95 6.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.567 . . . . 50.0 110.277 -177.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt 54.97 29.59 12.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.556 1.143 . . . . 25.0 113.248 -179.561 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.59 25.84 1.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.989 -1.005 . . . . 25.0 110.267 176.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.55 149.98 43.56 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.71 -1.132 . . . . 50.0 111.683 -167.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.58 154.81 8.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 50.0 107.793 -177.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.22 148.36 46.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 174.791 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -156.23 172.32 18.67 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.115 -1.809 . . . . 50.0 106.115 -176.63 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.0 m -129.69 149.79 51.29 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.815 -0.439 . . . . 50.0 109.815 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.56 146.52 52.09 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.183 -0.462 . . . . 50.0 109.908 -178.264 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -102.91 125.36 49.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.086 -1.079 . . . . 50.0 108.086 178.044 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.0 m -138.93 171.35 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.236 -1.024 . . . . 50.0 108.236 -172.813 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.21 164.45 13.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.916 -1.142 . . . . 50.0 107.916 175.46 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.44 74.12 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 176.249 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -91.62 19.38 6.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 50.0 112.053 -178.219 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -73.56 136.66 44.04 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.303 -0.999 . . . . 50.0 108.303 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -64.27 141.93 58.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.076 -0.342 . . . . 50.0 110.076 179.23 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.13 -33.14 75.09 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.995 -1.113 . . . . 50.0 107.995 174.379 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.9 -43.23 98.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.04 0.447 . . . . 50.0 111.141 176.718 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -72.19 -34.03 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.295 -0.632 . . . . 50.0 109.295 -179.745 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -64.18 -42.84 96.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.997 0.369 . . . . 50.0 111.997 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -66.73 -31.44 72.1 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.69 -0.804 . . . . 50.0 110.704 179.169 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.4 65.28 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.276 0.56 . . . . 25.0 110.261 178.098 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.37 -38.45 91.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.43 0.633 . . . . 50.0 109.46 178.349 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.49 -43.03 98.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.708 -0.678 . . . . 50.0 110.647 176.078 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.44 -41.72 98.94 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.486 0.315 . . . . 25.0 110.332 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.96 -45.29 89.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 50.0 111.601 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -69.05 -39.66 79.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.363 0.601 . . . . 50.0 111.786 -177.507 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.2 p -83.99 -19.46 34.5 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -176.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.94 79.21 Favored Glycine 0 CA--C 1.517 0.157 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.743 176.217 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -127.49 142.72 44.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.037 -0.727 . . . . 50.0 109.037 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.31 143.02 75.36 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 116.578 -1.815 . . . . 50.0 115.233 -174.411 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.21 70.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.497 -0.774 . . . . 25.0 109.267 174.784 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.09 70.16 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.083 -179.571 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -93.33 7.29 45.03 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.015 0.436 . . . . 50.0 110.264 -178.345 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 m -131.44 158.36 41.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.829 1.418 . . . . 50.0 114.829 -171.647 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.08 150.5 49.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.224 -1.769 . . . . 50.0 106.224 172.596 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.82 137.84 56.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 -176.466 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.1 p -140.18 142.62 31.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.867 -1.161 . . . . 50.0 107.867 -172.583 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -135.64 132.25 36.8 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.361 -0.977 . . . . 50.0 108.361 -177.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.0 44.97 25.63 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.569 0.543 . . . . 25.0 110.441 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 62.11 8.69 2.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.783 1.772 . . . . 50.0 115.783 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -115.54 131.76 23.47 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.622 -0.673 . . . . 25.0 109.782 177.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.66 146.48 67.14 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 116.029 -2.18 . . . . 50.0 112.086 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.9 mt -89.56 89.59 7.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.481 -1.303 . . . . 50.0 107.481 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 70.9 p -94.4 -12.55 27.63 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -173.29 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -105.39 104.94 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.438 0.637 . . . . 25.0 110.026 -176.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -70.5 -26.71 63.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.48 -0.782 . . . . 25.0 113.1 -178.571 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.57 -9.17 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.588 0.709 . . . . 50.0 112.483 -172.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -75.98 136.61 40.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.7 p -73.92 161.8 29.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.655 -1.609 . . . . 50.0 106.655 172.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.73 -33.62 75.52 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.375 0.607 . . . . 50.0 110.244 -179.566 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.52 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.951 176.576 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.4 m -70.86 -16.49 62.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.707 0.262 . . . . 50.0 111.707 179.173 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -96.84 -9.07 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.533 0.206 . . . . 50.0 110.526 175.441 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.98 20.69 64.67 Favored Glycine 0 N--CA 1.454 -0.162 0 N-CA-C 111.113 -0.795 . . . . 25.0 111.113 -176.025 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.5 81.54 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.888 0.852 . . . . 50.0 110.118 -178.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -72.39 169.58 16.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.515 -1.221 . . . . 50.0 113.083 -178.808 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.59 128.65 38.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.97 -1.014 . . . . 50.0 109.635 173.005 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.39 0.47 82.36 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.281 -0.872 . . . . 25.0 113.763 178.327 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.37 162.83 26.17 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.643 1.222 . . . . 50.0 110.837 178.083 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.27 136.44 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 112.182 0.438 . . . . 50.0 112.182 -172.699 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.97 161.18 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.619 -0.882 . . . . 50.0 108.619 175.207 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 98.2 mt -122.12 132.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 -178.204 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 12.5 tp -115.61 139.96 49.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.329 -1.36 . . . . 50.0 107.329 179.119 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -130.41 121.64 26.29 Favored 'General case' 0 CA--C 1.508 -0.642 0 O-C-N 121.915 -0.491 . . . . 50.0 109.755 175.195 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 123.474 1.607 . . . . 50.0 111.514 -178.669 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.5 p80 . . . . . 0 C--O 1.235 0.34 0 N-CA-C 103.957 -2.609 . . . . 25.0 103.957 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -121.07 168.54 11.43 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.751 -1.574 . . . . 50.0 106.751 172.793 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -120.34 138.5 53.69 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.719 -1.215 . . . . 50.0 107.719 -176.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -127.55 150.07 49.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.386 -1.339 . . . . 50.0 107.386 174.108 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -110.39 133.92 52.81 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.2 133.56 67.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.45 -0.574 . . . . 50.0 109.45 -178.418 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.88 115.96 28.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 173.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -97.51 129.29 44.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 25.0 109.748 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.6 t -112.69 127.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.681 -0.859 . . . . 50.0 108.681 178.434 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.601 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 31.6 mmm-85 -122.06 140.73 52.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.665 -1.605 . . . . 50.0 106.665 -178.387 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.51 -17.85 64.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.776 0.322 . . . . 25.0 111.689 178.114 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.95 13.71 4.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.147 0.795 . . . . 50.0 113.147 -176.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.0 mt 58.4 35.25 24.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.954 1.359 . . . . 25.0 110.128 -176.212 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -106.01 26.03 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.126 -1.852 . . . . 25.0 110.939 -175.752 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.601 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 14.0 mp0 -72.42 148.07 45.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.574 0.702 . . . . 50.0 110.993 -168.356 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.26 155.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 107.734 -1.21 . . . . 50.0 107.734 -174.366 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -135.74 146.69 47.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 175.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -154.55 173.73 15.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.775 -1.565 . . . . 50.0 106.775 -175.385 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.3 m -129.94 146.93 51.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 178.724 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.0 mt -120.91 145.84 47.25 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.044 0.45 . . . . 50.0 111.45 -176.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -103.61 113.58 27.2 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.91 -1.515 . . . . 50.0 106.91 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.15 163.05 27.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.513 -0.18 . . . . 50.0 110.513 -174.229 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -82.17 163.25 22.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 175.558 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.62 93.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.653 -0.249 . . . . 25.0 111.022 176.824 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -94.73 15.45 18.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.481 0.658 . . . . 50.0 112.64 -175.364 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.9 132.42 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 50.0 107.96 176.469 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.64 151.41 47.4 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.151 -0.343 . . . . 50.0 111.742 -177.294 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.29 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.359 -0.978 . . . . 50.0 108.359 174.25 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.406 0.622 . . . . 50.0 110.417 175.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -69.56 -39.44 77.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.532 0.682 . . . . 50.0 109.338 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.58 -44.26 96.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.902 0.705 . . . . 50.0 112.902 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -69.27 -27.89 65.83 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.728 -0.789 . . . . 50.0 110.426 -179.266 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.11 -40.67 71.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.099 0.476 . . . . 25.0 109.851 174.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.1 -36.13 82.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.931 0.872 . . . . 50.0 109.744 178.195 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.28 -38.97 92.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.311 -0.859 . . . . 50.0 110.746 175.572 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -36.32 83.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.8 -49.56 76.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 50.0 111.203 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.86 -32.09 65.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.278 0.561 . . . . 50.0 111.839 -178.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t -81.38 -21.11 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -177.241 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.21 12.47 84.31 Favored Glycine 0 CA--C 1.518 0.231 0 N-CA-C 114.475 0.55 . . . . 25.0 114.475 177.681 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.8 pt -135.52 145.97 55.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 117.307 0.554 . . . . 50.0 109.933 -179.486 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -63.71 135.91 51.08 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 117.005 -1.53 . . . . 50.0 113.775 -178.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.6 -24.66 67.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.115 178.173 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.11 69.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 25.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -92.53 19.11 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.389 0.614 . . . . 50.0 110.287 -177.259 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -145.67 170.5 16.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.327 -0.99 . . . . 50.0 108.327 -177.169 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -125.13 127.81 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.938 -0.393 . . . . 50.0 109.938 178.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.2 tt -97.03 132.57 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 -179.114 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.45 135.04 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 123.819 0.847 . . . . 50.0 110.362 -170.55 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -135.96 138.91 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.847 -1.168 . . . . 50.0 107.847 176.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.49 41.27 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.34 0.59 . . . . 25.0 110.284 -176.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 58.92 12.2 2.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.464 1.653 . . . . 50.0 115.464 -178.029 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -116.05 139.66 25.36 Favored Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 121.78 -0.575 . . . . 25.0 110.273 176.617 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 150.46 56.8 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 115.839 -2.307 . . . . 50.0 112.024 177.693 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.13 95.36 7.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.396 -0.965 . . . . 50.0 108.396 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.6 p -83.88 -23.31 31.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 25.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.413 ' CB ' ' HH ' ' A' ' 164' ' ' TYR . 47.0 m-20 -90.78 115.87 28.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.713 -0.676 . . . . 25.0 109.486 -177.924 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -94.65 -22.91 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 -176.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.82 -8.74 59.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 118.134 2.642 . . . . 50.0 118.134 -165.27 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.03 163.85 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.138 -1.06 . . . . 50.0 108.138 176.38 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -79.59 165.34 23.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.783 -0.644 . . . . 50.0 112.183 177.223 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.86 -41.77 96.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.902 -0.59 . . . . 50.0 112.494 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.76 -31.13 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.734 0.302 . . . . 25.0 110.758 177.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -71.32 -16.49 62.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.179 0.437 . . . . 50.0 112.179 178.599 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.413 ' HH ' ' CB ' ' A' ' 156' ' ' ASP . 69.2 m-85 -102.0 -2.49 29.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.617 0.246 . . . . 50.0 110.472 175.457 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.29 15.75 66.0 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 114.393 0.517 . . . . 25.0 114.393 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.84 81.71 2.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 117.959 0.879 . . . . 50.0 109.326 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 170.85 15.83 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.491 0.662 . . . . 50.0 112.625 -178.072 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -53.02 118.03 3.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.983 1.105 . . . . 50.0 113.983 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.52 75.34 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-O 119.536 -0.591 . . . . 25.0 114.101 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -72.13 160.37 32.57 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.996 0.898 . . . . 50.0 110.288 179.244 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.13 130.11 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.732 0.777 . . . . 50.0 112.57 -172.475 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.96 151.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 106.828 -1.545 . . . . 50.0 106.828 177.56 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 64.0 mt -126.08 126.14 69.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 -178.305 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 38.6 tp -102.85 131.61 49.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 106.52 -1.659 . . . . 50.0 106.52 177.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -128.39 113.6 15.78 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.705 0.632 . . . . 50.0 112.705 -177.699 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 124.677 2.179 . . . . 50.0 111.056 174.157 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.7 p80 . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 105.765 -1.939 . . . . 25.0 105.765 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -109.26 166.66 10.69 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.252 0.548 . . . . 50.0 110.122 178.892 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.3 tp -125.22 132.48 52.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.788 -1.56 . . . . 50.0 106.788 -178.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -122.11 153.61 38.47 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 108.054 -1.091 . . . . 50.0 108.054 178.525 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.5 m -106.88 141.21 38.47 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.114 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.97 128.38 75.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 107.595 -1.261 . . . . 50.0 107.595 179.193 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -113.76 111.0 21.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -97.45 122.71 40.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.227 0.537 . . . . 25.0 110.514 -176.099 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.1 t -105.4 126.41 60.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.172 -178.092 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -119.16 147.62 43.99 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.055 -1.831 . . . . 50.0 106.055 174.067 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -61.0 -33.15 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.693 0.997 . . . . 25.0 113.693 -173.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -85.7 27.75 0.83 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 113.551 0.945 . . . . 50.0 113.551 -173.644 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt 56.28 27.31 11.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 122.468 1.128 . . . . 25.0 111.629 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.5 m -88.05 25.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.162 -1.381 . . . . 25.0 110.637 179.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.37 152.31 42.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.059 -0.973 . . . . 50.0 110.319 -165.154 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -148.64 155.26 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.103 -1.073 . . . . 50.0 108.103 -173.306 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -136.97 149.05 47.3 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 175.441 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -156.68 173.25 17.23 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 105.888 -1.893 . . . . 50.0 105.888 -177.685 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.7 m -128.18 151.19 49.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.686 -0.487 . . . . 50.0 109.686 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.6 mt -126.82 142.01 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.27 0.557 . . . . 50.0 111.65 -177.43 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -95.3 115.2 27.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.606 -1.257 . . . . 50.0 107.606 178.883 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 m -138.26 161.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.323 0.582 . . . . 50.0 111.436 -175.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -81.76 161.35 23.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.046 -1.094 . . . . 50.0 108.046 175.807 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.7 98.22 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 177.642 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -93.87 17.61 11.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.664 0.745 . . . . 50.0 112.565 -176.041 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -66.14 132.78 49.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 177.373 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.25 150.54 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.919 0.34 . . . . 50.0 111.919 -177.646 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.84 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.14 -1.059 . . . . 50.0 108.14 169.304 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -59.58 -41.6 90.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.693 -0.685 . . . . 50.0 111.759 177.552 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -77.85 -37.14 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.713 0.768 . . . . 50.0 110.03 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -61.13 -43.2 99.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.085 -0.507 . . . . 50.0 112.334 -179.193 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -68.06 -28.08 67.06 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.627 -0.429 . . . . 50.0 111.33 179.14 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.78 68.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 176.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.58 -36.55 84.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.479 0.657 . . . . 50.0 109.491 176.21 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.31 -36.28 83.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.054 -0.521 . . . . 50.0 111.805 178.189 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.73 -44.15 97.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.657 -0.498 . . . . 25.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.59 -47.31 86.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.281 -0.418 . . . . 50.0 112.023 -178.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -75.45 -32.54 60.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.741 0.645 . . . . 50.0 112.741 -176.808 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 93.6 p -83.68 -23.1 31.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.885 -0.51 . . . . 25.0 112.097 -177.523 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.12 11.06 85.9 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.966 -0.635 . . . . 25.0 113.66 177.578 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.2 pt -127.19 145.21 53.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.562 -0.903 . . . . 50.0 108.562 178.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.89 139.03 66.07 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 116.792 -1.672 . . . . 50.0 114.065 -176.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.69 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 174.148 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.5 67.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.077 -0.51 . . . . 25.0 111.869 178.717 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -100.89 9.64 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.762 0.315 . . . . 50.0 110.743 -178.267 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -139.0 160.1 40.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.566 0.698 . . . . 50.0 112.818 -171.379 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -121.41 152.5 38.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.53 -0.544 . . . . 50.0 109.53 177.726 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -115.79 135.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.5 t -133.92 137.88 51.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.062 0.945 . . . . 50.0 109.423 -173.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -142.02 141.48 32.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.397 -1.705 . . . . 50.0 106.397 175.332 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.82 45.3 24.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.9 0.381 . . . . 25.0 110.771 -178.124 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 60.54 10.09 2.37 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.455 1.65 . . . . 50.0 115.455 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -125.78 141.84 40.43 Favored Pre-proline 0 N--CA 1.469 0.498 0 O-C-N 121.741 -0.599 . . . . 25.0 110.434 -177.61 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.57 147.85 46.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 116.185 -2.077 . . . . 50.0 112.855 -178.346 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 73.9 mt -95.47 103.24 15.1 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.244 -1.021 . . . . 50.0 108.244 178.135 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.7 p -112.77 -23.27 10.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.29 1.218 . . . . 25.0 114.29 -173.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.33 98.06 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 179.453 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.81 -25.16 66.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.173 -0.921 . . . . 25.0 112.93 -175.848 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.98 -8.63 58.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.132 0.789 . . . . 50.0 113.132 -172.836 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -87.51 145.04 26.41 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 178.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -81.45 166.46 20.34 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.773 -0.825 . . . . 50.0 108.773 173.362 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.34 -37.42 87.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.518 -0.31 . . . . 50.0 111.401 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.141 -0.35 . . . . 25.0 110.451 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.2 m -69.53 -16.76 63.5 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.656 0.243 . . . . 50.0 111.656 177.621 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -99.0 -6.69 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.578 0.228 . . . . 50.0 110.609 176.008 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.52 18.69 59.81 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.235 -0.507 . . . . 25.0 113.64 -178.247 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.07 84.04 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 117.833 0.817 . . . . 50.0 109.85 178.292 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -66.42 162.15 21.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.174 -0.921 . . . . 50.0 110.448 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -58.88 130.43 46.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 50.0 109.156 173.709 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.44 -3.84 82.06 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.059 -0.973 . . . . 25.0 113.734 179.016 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -76.19 163.98 26.53 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.539 1.169 . . . . 50.0 111.58 178.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 23.5 t -116.76 129.14 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 50.0 112.361 -173.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.74 145.46 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.197 -1.779 . . . . 50.0 106.197 174.038 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -113.15 124.89 70.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.974 -1.121 . . . . 50.0 107.974 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 11.7 tp -105.98 140.01 39.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.1 -1.815 . . . . 50.0 106.1 177.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -135.01 112.15 10.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.33 0.493 . . . . 50.0 112.33 -176.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.205 -1.242 0 CA-C-O 125.209 2.433 . . . . 50.0 110.688 175.612 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -146.48 152.82 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.125 -1.435 . . . . 50.0 107.125 -178.196 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.4 tp -107.33 123.51 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 -178.723 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.84 156.38 28.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.414 -0.958 . . . . 50.0 108.414 -178.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.4 m -112.55 138.36 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.962 0.41 . . . . 25.0 110.058 -179.448 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.03 124.12 66.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.991 -0.744 . . . . 50.0 108.991 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -103.45 119.0 38.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 174.611 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.6 t -97.55 125.14 42.09 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.2 t -116.73 127.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.47 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 6.4 mtm180 -119.31 146.79 44.97 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 178.674 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.13 -28.94 70.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.503 . . . . 25.0 110.07 176.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.55 24.5 1.19 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -175.797 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.8 mt 55.54 38.2 29.9 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.181 0.991 . . . . 25.0 112.744 177.271 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 m -105.85 25.59 10.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.625 -1.17 . . . . 25.0 113.19 -177.576 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.47 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 13.2 mp0 -72.38 146.94 46.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.66 0.743 . . . . 50.0 112.172 -164.843 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.88 154.3 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 -175.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 t -130.25 145.09 51.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 176.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -154.24 173.74 15.72 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.46 -1.311 . . . . 50.0 107.46 -176.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -127.12 152.63 47.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.766 -0.457 . . . . 50.0 109.766 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.11 146.84 52.51 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.926 0.49 . . . . 50.0 109.972 -177.656 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -105.07 126.13 51.74 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.333 -1.358 . . . . 50.0 107.333 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.43 165.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.476 -0.564 . . . . 50.0 109.476 -174.502 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.67 158.97 24.08 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 105.515 -2.031 . . . . 50.0 105.515 172.421 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.96 -35.08 77.42 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 174.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -90.75 13.03 17.34 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.037 0.754 . . . . 50.0 113.037 -177.058 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -67.8 133.98 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.383 -0.969 . . . . 50.0 108.383 179.421 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.87 150.13 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.454 -0.154 . . . . 50.0 110.905 -179.341 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -34.81 77.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 171.736 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -59.36 -43.55 92.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 50.0 110.663 179.473 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -77.93 -32.13 51.42 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.823 -0.351 . . . . 50.0 110.388 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -63.68 -44.52 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.072 0.397 . . . . 50.0 112.072 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -69.86 -29.19 66.37 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.164 -0.614 . . . . 50.0 110.58 -179.692 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.76 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.439 0.638 . . . . 25.0 109.543 174.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.08 -38.48 90.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 50.0 111.108 179.685 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.9 p -77.47 -25.31 50.36 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.652 -0.655 . . . . 50.0 111.516 177.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.6 -37.0 86.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 175.834 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.48 -46.21 90.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 50.0 111.725 178.585 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -77.19 -31.34 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.44 0.533 . . . . 50.0 112.44 -177.188 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 80.1 p -84.27 -19.94 33.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.092 -0.38 . . . . 25.0 111.765 -178.176 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.24 12.09 84.68 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 121.304 -0.474 . . . . 25.0 113.898 176.605 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.6 pt -132.52 145.56 57.75 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 117.229 0.515 . . . . 50.0 110.648 -179.24 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.0 134.06 41.32 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 116.797 -1.669 . . . . 50.0 114.478 -177.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.62 -24.7 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 25.0 109.618 175.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.22 -26.07 65.52 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.95 -0.568 . . . . 25.0 112.091 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -96.3 9.15 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.142 0.496 . . . . 50.0 110.974 -177.248 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.3 p -137.78 172.49 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.386 0.612 . . . . 50.0 111.145 -175.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -125.52 138.12 53.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 -179.628 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.0 tt -107.37 132.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.839 0.828 . . . . 25.0 109.198 -178.112 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.2 t -122.06 137.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.911 -1.04 . . . . 50.0 109.331 -174.174 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -138.62 135.61 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.63 -1.248 . . . . 50.0 107.63 178.245 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.4 41.56 28.37 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.309 0.576 . . . . 25.0 110.38 -175.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 59.16 12.1 2.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.527 1.677 . . . . 50.0 115.527 -177.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -117.75 141.46 29.1 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.801 -0.562 . . . . 25.0 109.575 177.202 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.79 149.74 54.71 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 115.214 -2.724 . . . . 50.0 111.845 178.818 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 74.6 mt -92.37 141.79 28.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.37 -1.715 . . . . 50.0 106.37 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.6 p -128.5 -43.58 1.41 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.109 1.522 . . . . 25.0 115.109 -174.415 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -85.44 96.67 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.637 . . . . 25.0 110.417 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -68.12 -21.31 64.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -174.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -75.81 -16.66 60.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 -174.129 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -77.96 148.68 34.36 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.038 0.447 . . . . 50.0 111.818 -176.709 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.7 m -70.67 157.17 38.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.105 -0.952 . . . . 50.0 109.934 174.015 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 66.1 mt -65.28 -35.3 80.6 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.075 0.464 . . . . 50.0 111.085 179.016 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.06 69.89 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.1 -0.375 . . . . 25.0 111.262 175.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.9 m -69.81 -16.5 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.157 0.428 . . . . 50.0 112.157 179.356 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -99.4 -5.98 28.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.997 -0.372 . . . . 50.0 109.997 174.552 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.51 21.48 62.03 Favored Glycine 0 N--CA 1.454 -0.148 0 N-CA-C 111.69 -0.564 . . . . 25.0 111.69 -176.569 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.27 81.48 3.05 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 122.115 0.959 . . . . 50.0 110.632 -178.822 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -74.6 171.64 13.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 113.511 -1.677 . . . . 50.0 114.194 -177.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.76 128.89 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.064 -0.971 . . . . 50.0 109.761 172.53 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 87.74 -2.52 85.99 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 25.0 113.341 175.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -77.42 158.73 29.89 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.143 0.972 . . . . 50.0 110.664 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 16.7 t -123.2 135.3 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.973 -171.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.91 158.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.773 -1.195 . . . . 50.0 107.773 172.819 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 66.6 mt -125.22 115.22 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.705 -0.85 . . . . 50.0 108.705 -178.834 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -96.51 131.72 42.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.981 -1.488 . . . . 50.0 106.981 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -124.68 120.11 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.686 0.279 . . . . 50.0 111.705 -177.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 125.289 2.471 . . . . 50.0 110.544 174.086 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -145.83 161.61 39.57 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.98 -1.119 . . . . 50.0 107.98 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.0 tp -107.68 135.09 49.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 50.0 110.787 -177.382 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.6 mt -124.94 146.04 49.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.803 -0.814 . . . . 50.0 108.803 177.321 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -102.49 136.99 41.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 177.294 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.06 130.24 74.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.925 -1.139 . . . . 50.0 107.925 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -119.49 108.04 14.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.8 m -97.86 121.28 39.59 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 122.363 0.265 . . . . 25.0 110.291 -176.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.6 t -109.87 132.29 58.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 122.703 0.401 . . . . 50.0 111.933 -175.503 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -113.59 151.21 31.98 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.393 -0.965 . . . . 50.0 108.393 172.565 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -62.65 -32.1 73.08 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.873 0.368 . . . . 25.0 111.163 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.54 31.31 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.134 0.79 . . . . 50.0 113.134 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt 52.93 39.78 29.82 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 122.431 1.11 . . . . 25.0 112.384 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.98 25.19 11.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.364 -1.289 . . . . 25.0 112.252 -177.211 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -72.37 152.42 42.06 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.073 0.94 . . . . 50.0 113.256 -170.569 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.8 p -145.49 152.52 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.274 -1.75 . . . . 50.0 106.274 -176.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -139.92 148.94 42.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.632 -1.248 . . . . 25.0 107.632 176.879 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -157.31 174.1 15.95 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.235 -1.765 . . . . 50.0 106.235 -176.394 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 56.1 m -126.51 146.77 49.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.731 -0.84 . . . . 50.0 108.731 178.322 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.76 147.66 50.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.527 -0.916 . . . . 50.0 108.527 -178.33 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -108.28 128.32 54.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.545 -1.28 . . . . 50.0 107.545 177.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.83 160.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.337 -0.616 . . . . 50.0 109.337 -177.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.22 160.74 30.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.22 0.533 . . . . 50.0 110.026 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.45 81.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.221 0.534 . . . . 25.0 109.982 175.855 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -98.64 16.12 23.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.858 -0.61 . . . . 50.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.2 143.2 57.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.679 -0.489 . . . . 50.0 109.679 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.04 139.81 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 50.0 111.329 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.63 -33.26 72.52 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.511 -0.922 . . . . 50.0 108.511 175.017 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -54.23 -48.25 71.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.525 -0.307 . . . . 50.0 111.641 175.311 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -77.82 -29.41 50.65 Favored 'General case' 0 C--O 1.211 -0.924 0 C-N-CA 120.959 -0.297 . . . . 50.0 111.195 -176.084 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.4 -38.71 90.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.963 0.411 . . . . 50.0 111.295 176.399 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -60.98 -49.54 77.04 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 108.913 -0.773 . . . . 50.0 108.913 175.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.13 83.67 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.036 -0.984 . . . . 25.0 111.521 -179.019 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.8 mp -64.91 -47.63 77.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.134 -0.354 . . . . 50.0 111.187 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 17.6 p -72.1 -25.42 61.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.022 -0.671 . . . . 50.0 111.179 -178.488 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.39 -46.74 72.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.45 -43.61 85.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 50.0 111.522 -179.241 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -65.46 -35.34 80.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.255 0.55 . . . . 50.0 110.789 -178.755 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.5 m -81.69 -26.24 34.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.748 178.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.39 33.02 49.72 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.048 -0.596 . . . . 25.0 112.165 179.504 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.5 pt -120.17 154.44 55.98 Favored Pre-proline 0 C--O 1.217 -0.658 0 O-C-N 122.671 -0.311 . . . . 50.0 111.486 -173.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -73.88 138.7 26.38 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 115.904 -2.264 . . . . 50.0 111.941 174.736 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.35 -32.53 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.885 -0.509 . . . . 25.0 111.561 175.228 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.04 -24.57 67.15 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.6 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -104.16 15.62 28.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.316 0.246 . . . . 50.0 111.142 -177.678 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.8 p -127.97 154.49 45.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.152 1.167 . . . . 50.0 114.152 -176.133 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -138.99 136.39 35.31 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.917 -1.512 . . . . 50.0 106.917 173.314 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -114.81 133.67 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.239 0.543 . . . . 25.0 109.88 -173.593 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.87 136.42 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.625 0.77 . . . . 50.0 110.85 -171.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -132.62 135.52 45.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.598 -1.26 . . . . 50.0 107.598 176.214 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.46 47.39 22.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 123.272 0.358 . . . . 25.0 110.913 -179.126 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 62.88 2.99 1.08 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.726 1.75 . . . . 50.0 115.726 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -117.2 138.01 24.49 Favored Pre-proline 0 N--CA 1.468 0.435 0 O-C-N 121.763 -0.586 . . . . 25.0 109.69 -178.445 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.13 146.86 47.24 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 115.794 -2.338 . . . . 50.0 113.457 -176.115 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.44 58.56 2.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 176.707 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -37.45 71.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.322 -0.854 . . . . 25.0 111.144 -177.21 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -75.02 129.84 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 178.226 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.76 4.24 47.68 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.853 174.919 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.3 1.68 24.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 118.808 2.892 . . . . 50.0 118.808 -165.325 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 164' ' ' TYR . 99.8 mtt180 -137.38 166.1 24.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.563 0.62 . . . . 50.0 110.284 -178.276 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 162.49 27.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.098 -0.501 . . . . 50.0 111.142 175.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.84 -45.74 91.48 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.785 0.661 . . . . 50.0 112.785 -177.786 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.12 70.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.891 0.377 . . . . 25.0 110.724 178.728 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.1 t -72.77 -16.53 61.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.381 0.512 . . . . 50.0 112.381 178.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.402 ' CE2' ' HB2' ' A' ' 159' ' ' ARG . 57.5 m-85 -95.22 -2.05 50.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.828 -0.804 . . . . 50.0 108.828 173.592 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.39 20.58 60.09 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.233 -0.439 . . . . 25.0 112.606 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.15 80.46 4.57 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.785 -0.82 . . . . 50.0 108.785 -177.827 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.17 160.9 31.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.005 -0.998 . . . . 50.0 113.189 -177.581 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.32 128.43 35.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.806 -1.088 . . . . 50.0 109.225 171.592 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.44 -2.09 77.25 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.486 -0.779 . . . . 25.0 114.059 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.72 164.72 23.49 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.572 1.186 . . . . 50.0 112.19 178.852 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.7 130.74 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 50.0 111.446 -175.106 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.66 136.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.806 -1.553 . . . . 50.0 106.806 178.178 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.2 mt -111.18 128.92 67.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.368 -0.975 . . . . 50.0 108.368 -178.271 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.8 tt -115.51 143.67 44.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.242 -1.392 . . . . 50.0 107.242 178.474 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -118.68 133.12 56.08 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.071 -1.085 . . . . 50.0 108.071 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 123.466 1.603 . . . . 50.0 110.941 -179.164 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.5 p80 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 104.129 -2.545 . . . . 25.0 104.129 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -151.18 172.16 16.25 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.675 -0.491 . . . . 50.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -119.75 132.25 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.267 -0.642 . . . . 50.0 109.267 -179.495 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.7 mt -121.69 153.85 37.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.75 -1.204 . . . . 50.0 107.75 176.256 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -107.27 137.49 45.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 178.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.02 128.57 73.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.52 -0.548 . . . . 50.0 109.52 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -108.83 122.0 46.26 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.821 -1.177 . . . . 25.0 107.821 175.536 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 96.6 m -113.47 117.97 33.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.026 0.917 . . . . 25.0 111.731 -177.003 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.1 t -91.7 113.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.598 -1.183 . . . . 50.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -91.76 145.45 24.57 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.129 -1.063 . . . . 50.0 108.129 174.285 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -58.64 -34.2 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.336 0.589 . . . . 25.0 111.365 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.63 19.08 3.02 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.381 1.252 . . . . 50.0 114.381 -173.154 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.6 mt 58.95 26.04 14.5 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 122.569 1.175 . . . . 25.0 111.057 -177.351 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.1 m -87.08 25.83 1.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 125.572 1.549 . . . . 25.0 110.27 177.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.94 149.3 45.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.328 -0.851 . . . . 50.0 110.194 -163.169 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.88 156.46 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.688 -1.142 . . . . 50.0 110.082 -166.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -128.14 145.93 50.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 174.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -154.52 173.95 15.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.352 -1.721 . . . . 50.0 106.352 178.172 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -127.6 146.9 50.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.74 -0.467 . . . . 50.0 109.74 179.543 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -119.67 144.77 47.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.09 -0.505 . . . . 50.0 110.474 -178.296 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -100.56 124.25 45.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.761 -1.941 . . . . 50.0 105.761 175.85 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.1 m -140.7 165.34 20.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 -174.271 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -87.34 164.47 16.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.314 -0.995 . . . . 50.0 108.314 174.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.06 99.17 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -94.36 17.85 12.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.842 0.829 . . . . 50.0 112.299 -175.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.06 133.53 55.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.442 -0.577 . . . . 50.0 109.442 179.132 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -63.97 149.09 48.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.455 -0.202 . . . . 50.0 110.455 179.443 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -36.77 85.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.062 -1.088 . . . . 50.0 108.062 168.52 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -58.36 -39.85 80.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.858 -0.61 . . . . 50.0 111.894 177.621 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -77.99 -36.44 48.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.698 0.761 . . . . 50.0 110.084 177.584 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.27 -45.58 92.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.696 -0.627 . . . . 50.0 112.186 179.242 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.98 69.25 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.262 -0.575 . . . . 50.0 110.11 178.826 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.62 71.25 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.076 0.398 . . . . 25.0 110.044 177.454 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.45 -40.65 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 50.0 109.6 177.474 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.9 t -62.94 -43.5 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.177 -0.465 . . . . 50.0 110.614 177.764 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.09 -42.63 90.95 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.273 0.629 . . . . 25.0 110.8 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.89 -50.43 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.23 -0.441 . . . . 50.0 112.021 179.479 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -70.36 -33.32 71.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.069 0.461 . . . . 50.0 111.774 -177.705 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.1 m -77.56 -28.93 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 -177.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.57 11.4 85.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.864 -0.684 . . . . 25.0 112.583 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.8 pt -131.46 141.61 42.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.723 -1.214 . . . . 50.0 107.723 179.081 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -64.09 135.69 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 116.19 -2.073 . . . . 50.0 113.013 -178.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.29 69.53 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.192 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.76 -25.04 64.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.863 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.11 19.15 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.53 -0.915 . . . . 50.0 108.53 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 m -140.58 179.21 6.81 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 -176.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -128.26 150.82 49.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.355 -1.35 . . . . 50.0 107.355 172.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.14 133.85 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.415 0.626 . . . . 25.0 111.242 -176.008 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 144.62 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.196 0.522 . . . . 50.0 110.917 -173.454 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -145.81 135.69 23.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.698 -1.593 . . . . 50.0 106.698 177.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.18 43.01 29.39 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 122.757 0.423 . . . . 25.0 111.112 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 59.79 7.19 1.03 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.623 1.712 . . . . 50.0 115.623 -178.33 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -113.41 137.35 22.06 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.063 -0.718 . . . . 25.0 109.063 178.787 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.8 148.18 64.24 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 115.476 -2.549 . . . . 50.0 111.436 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.2 75.25 7.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.779 -0.823 . . . . 50.0 108.779 -178.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 38.2 p -90.51 -30.52 17.23 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.805 2.15 . . . . 25.0 116.805 -172.4 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -83.13 86.09 7.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 -172.31 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -61.23 -21.4 63.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.81 -2.7 55.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.836 0.68 . . . . 50.0 112.836 -179.471 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -87.14 152.87 21.96 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.464 -0.569 . . . . 50.0 109.464 176.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 11.0 m -86.24 166.31 15.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 171.047 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.39 -35.98 81.7 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.785 -0.572 . . . . 50.0 110.637 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.14 69.31 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.197 -0.315 . . . . 25.0 111.117 174.419 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.4 m -70.47 -16.57 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.441 0.534 . . . . 50.0 112.441 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -97.68 -6.04 33.95 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 174.575 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.61 71.83 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.712 -0.955 . . . . 25.0 110.712 -175.117 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.17 81.68 1.8 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 121.449 0.642 . . . . 50.0 109.639 -178.565 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 164.06 20.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.378 -0.828 . . . . 50.0 111.682 -178.589 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.48 119.3 3.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.512 0.93 . . . . 50.0 113.512 -177.025 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.83 -9.41 51.58 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.404 -0.816 . . . . 25.0 113.991 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -66.99 153.77 42.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 118.105 0.953 . . . . 50.0 110.591 178.581 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.94 127.87 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.494 -0.775 . . . . 50.0 110.856 -176.8 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.9 142.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 106.537 -1.653 . . . . 50.0 106.537 176.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 90.6 mt -118.8 126.31 75.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.38 -0.6 . . . . 50.0 109.38 -178.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.72 133.54 53.02 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.242 -1.762 . . . . 50.0 106.242 175.257 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -124.32 120.38 31.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.53 0.681 . . . . 50.0 112.416 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 . . . . . 0 C--O 1.21 -1.02 0 CA-C-O 124.094 1.902 . . . . 50.0 110.278 171.287 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 101.592 -3.484 . . . . 25.0 101.592 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -137.03 152.18 49.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.049 -1.093 . . . . 50.0 108.049 172.638 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.4 tp -102.08 131.96 48.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.35 -0.611 . . . . 50.0 109.35 -178.532 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.83 151.74 44.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 176.205 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 138.72 43.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.15 123.3 65.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.802 -0.814 . . . . 50.0 108.802 178.37 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -103.73 120.33 40.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.767 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -97.49 123.26 41.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 179.306 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.62 124.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.822 -0.626 . . . . 50.0 110.206 -179.588 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -123.06 143.89 49.66 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 107.856 -1.165 . . . . 50.0 107.856 174.074 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.81 -25.03 64.63 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -175.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.47 28.63 1.92 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.887 0.375 . . . . 50.0 111.96 -176.02 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt 54.58 32.73 17.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 122.235 1.017 . . . . 25.0 112.286 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.15 25.63 2.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.713 -1.131 . . . . 25.0 109.553 179.364 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -72.33 148.02 45.76 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.575 -1.193 . . . . 50.0 111.37 -168.636 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -155.16 148.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 107.888 -1.152 . . . . 50.0 107.888 -178.187 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 t -124.9 144.78 50.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.618 -1.623 . . . . 25.0 106.618 175.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -150.8 170.78 18.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.147 -1.797 . . . . 50.0 106.147 -178.461 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.5 p -128.46 152.84 47.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.672 -0.862 . . . . 50.0 108.672 -179.708 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.65 148.93 52.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.361 -0.607 . . . . 50.0 109.361 -175.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -103.35 125.42 49.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.982 -1.488 . . . . 50.0 106.982 177.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.42 163.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.723 -0.473 . . . . 50.0 109.723 -177.244 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.3 -1.371 . . . . 50.0 107.3 173.649 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.37 90.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 175.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -95.46 19.25 11.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 50.0 112.539 -177.473 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.8 134.03 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.823 -0.806 . . . . 50.0 108.823 178.108 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.62 145.85 50.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.059 0.392 . . . . 50.0 112.059 -177.376 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -26.67 68.67 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.422 0.63 . . . . 50.0 109.446 169.861 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -63.57 -44.68 93.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.694 -0.685 . . . . 50.0 110.614 179.541 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -77.33 -33.36 55.52 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.865 0.364 . . . . 50.0 110.285 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -61.9 -41.95 98.49 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 50.0 113.45 -178.35 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -65.72 -30.98 71.73 Favored 'General case' 0 C--O 1.216 -0.696 0 C-N-CA 119.995 -0.682 . . . . 50.0 110.441 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.71 64.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.085 0.469 . . . . 25.0 109.975 175.285 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -64.73 -45.03 88.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 50.0 110.836 -178.564 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.8 p -75.55 -25.52 57.21 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.563 -0.455 . . . . 50.0 111.241 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -65.77 -45.33 82.92 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 176.346 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.71 -45.35 93.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.159 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.82 -35.93 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.72 0.637 . . . . 50.0 112.72 -177.012 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.6 p -84.06 -21.29 31.59 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.79 -0.569 . . . . 25.0 112.135 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.09 9.65 86.4 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 121.158 -0.544 . . . . 25.0 113.829 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.46 144.14 52.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 117.336 0.568 . . . . 50.0 110.062 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -63.93 138.56 63.46 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 117.303 -1.331 . . . . 50.0 115.384 -175.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.5 -29.4 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.389 -0.967 . . . . 25.0 108.389 172.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.648 -0.706 . . . . 25.0 112.761 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -99.93 8.23 44.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.506 . . . . 50.0 111.172 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 71.7 p -134.45 177.26 7.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.354 -0.61 . . . . 50.0 109.354 -176.407 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -127.41 116.09 19.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.327 0.584 . . . . 50.0 109.731 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -88.75 131.19 36.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 179.4 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.7 p -140.56 141.05 33.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.514 0.673 . . . . 50.0 109.875 -174.361 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -142.39 134.03 26.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.174 -1.417 . . . . 50.0 107.174 179.35 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 43.53 25.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.015 0.436 . . . . 25.0 110.686 -177.171 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 60.61 8.52 1.75 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.305 1.594 . . . . 50.0 115.305 -178.34 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -112.27 135.46 21.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 121.818 -0.551 . . . . 25.0 110.055 178.9 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -70.95 149.97 60.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 115.985 -2.21 . . . . 50.0 112.13 179.237 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 61.7 mt -102.71 77.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.319 0.581 . . . . 50.0 111.058 -178.693 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 34.3 p -92.04 -43.64 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -176.032 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.54 117.92 17.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.161 0.801 . . . . 25.0 113.161 -172.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -78.51 1.86 21.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.664 177.015 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -72.07 3.59 4.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.087 1.143 . . . . 50.0 114.087 -176.089 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -144.51 150.97 38.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.815 -0.553 . . . . 50.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 23.2 p -83.05 167.83 17.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.289 -0.869 . . . . 50.0 109.012 174.149 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -42.19 98.08 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.297 0.48 . . . . 50.0 112.297 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.09 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.871 -0.518 . . . . 25.0 110.851 178.398 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.1 -16.58 63.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.142 0.423 . . . . 50.0 112.142 178.084 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -97.13 -3.58 40.84 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 110.114 -0.328 . . . . 50.0 110.114 174.319 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 94.01 9.46 59.53 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-O 119.527 -0.596 . . . . 25.0 114.104 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.47 85.29 1.52 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.105 0.952 . . . . 50.0 109.809 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -76.6 166.25 23.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.476 -0.783 . . . . 50.0 110.017 175.457 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.27 129.02 33.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 50.0 109.574 174.577 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.59 -8.25 68.66 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.7 -0.682 . . . . 25.0 114.357 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.4 160.13 29.84 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 117.952 0.876 . . . . 50.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.1 131.53 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 113.117 0.784 . . . . 50.0 113.117 -172.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 51.6 t -109.73 146.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.782 -1.562 . . . . 50.0 106.782 176.603 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 89.1 mt -118.81 134.0 63.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.066 -1.087 . . . . 50.0 108.066 178.805 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.8 126.01 50.89 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.002 -1.481 . . . . 50.0 107.002 177.253 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -119.96 119.49 33.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.965 0.728 . . . . 50.0 112.965 -172.474 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 125.15 2.405 . . . . 50.0 111.168 175.306 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 122.614 1.197 . . . . 25.0 113.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.88 150.53 5.28 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 111.037 -0.825 . . . . 25.0 111.037 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -137.97 105.72 5.62 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -123.97 159.7 29.2 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -139.95 173.56 11.4 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 106.744 -1.576 . . . . 25.0 106.744 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -119.33 152.75 36.22 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.827 -1.916 . . . . 25.0 105.827 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -153.21 161.64 42.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.545 -1.65 . . . . 25.0 106.545 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.6 174.3 15.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -144.93 155.02 43.19 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 104.819 -2.289 . . . . 25.0 104.819 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -155.65 161.54 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -140.98 148.8 40.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -138.51 169.09 18.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 p -140.04 157.44 45.65 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.797 -1.557 . . . . 25.0 106.797 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 t -161.0 154.27 21.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.18 167.01 43.24 Favored Glycine 0 C--O 1.228 -0.23 0 N-CA-C 111.897 -0.481 . . . . 25.0 111.897 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -151.35 133.8 15.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -143.51 146.58 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -123.58 -13.4 7.54 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.334 0.588 . . . . 25.0 111.273 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.05 -141.48 34.48 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 110.57 -1.012 . . . . 25.0 110.57 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -139.52 121.36 15.47 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -160.53 175.1 13.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 104.689 -2.337 . . . . 25.0 104.689 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -152.37 154.65 36.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.8 tp -104.88 130.03 53.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.157 -0.474 . . . . 50.0 110.843 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.99 145.34 45.9 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.631 -0.507 . . . . 50.0 109.631 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 m -99.52 139.44 35.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.427 -0.583 . . . . 25.0 109.427 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.13 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.969 -1.123 . . . . 50.0 107.969 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -120.24 110.55 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.401 ' HG ' ' CB ' ' A' ' 138' ' ' SER . 75.3 m -99.22 126.43 45.01 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.7 t -114.62 128.64 71.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.409 0.623 . . . . 50.0 111.69 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.43 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 40.5 mtp180 -117.79 141.95 47.83 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 104.686 -2.339 . . . . 50.0 104.686 169.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -67.66 -9.08 40.14 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.54 0.686 . . . . 25.0 111.357 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.55 12.4 10.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.718 1.207 . . . . 50.0 111.71 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.3 mt 58.05 25.31 12.17 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.459 1.103 . . . . 25.0 112.992 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.43 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 1.0 OUTLIER -97.14 25.37 5.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.321 176.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -72.33 148.8 44.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.285 -0.871 . . . . 50.0 109.914 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.9 p -149.69 153.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 107.851 -1.166 . . . . 50.0 107.851 -171.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -135.76 146.96 48.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -156.67 177.5 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.094 -1.817 . . . . 50.0 106.094 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.5 p -131.98 155.01 48.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.789 -0.819 . . . . 50.0 108.789 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.0 mt -132.75 144.67 50.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.835 0.454 . . . . 50.0 111.339 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -93.44 126.36 38.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.648 -1.241 . . . . 50.0 107.648 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.9 m -140.74 165.78 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.985 0.421 . . . . 50.0 110.136 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -83.84 160.58 21.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.96 -1.496 . . . . 50.0 106.96 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.93 92.92 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.798 -0.564 . . . . 25.0 109.831 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.55 17.5 16.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.622 0.725 . . . . 50.0 112.222 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.64 137.46 58.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.83 146.95 53.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.155 -0.341 . . . . 50.0 110.189 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.84 -33.06 74.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.624 -1.25 . . . . 50.0 107.624 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.2 -41.0 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.667 -0.697 . . . . 50.0 112.785 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -80.52 -37.87 30.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.704 0.764 . . . . 50.0 109.796 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.77 -44.36 96.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.707 -0.621 . . . . 50.0 112.05 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -27.93 68.88 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.835 -0.54 . . . . 50.0 110.707 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.29 -38.58 71.77 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.08 -37.3 85.44 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.467 -0.493 . . . . 50.0 110.175 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.33 -41.26 98.88 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 120.823 0.344 . . . . 50.0 110.085 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.6 -44.23 97.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.999 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.92 -51.5 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.651 0.611 . . . . 50.0 112.651 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.84 -35.18 69.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.969 0.414 . . . . 50.0 112.051 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.401 ' CB ' ' HG ' ' A' ' 107' ' ' CYS . 8.0 t -82.97 -22.97 33.57 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -176.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.44 16.61 80.59 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.292 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.7 pt -131.38 138.69 33.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.508 -0.923 . . . . 50.0 108.508 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -63.91 140.02 70.95 Favored 'Trans proline' 0 C--N 1.349 0.571 0 N-CA-C 116.058 1.522 . . . . 50.0 116.058 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.69 68.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.188 -0.915 . . . . 25.0 108.642 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.88 65.81 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.375 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -103.37 11.62 36.38 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.456 0.646 . . . . 50.0 110.683 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -143.25 171.25 14.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.64 0.733 . . . . 50.0 112.377 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -131.59 153.35 49.99 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.43 -1.693 . . . . 50.0 106.43 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.7 133.46 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.088 -1.079 . . . . 25.0 108.088 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.77 138.65 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.407 -0.815 . . . . 50.0 110.104 -170.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -141.52 140.53 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.795 -1.187 . . . . 50.0 107.795 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 44.71 26.27 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.063 0.458 . . . . 25.0 110.857 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.688 1.736 . . . . 50.0 115.688 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -126.45 141.1 39.04 Favored Pre-proline 0 N--CA 1.47 0.561 0 O-C-N 121.415 -0.803 . . . . 25.0 112.242 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -64.89 146.07 87.16 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 116.259 -2.027 . . . . 50.0 112.644 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.17 92.26 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.299 -1.371 . . . . 50.0 107.299 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -85.4 -25.79 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.815 1.043 . . . . 25.0 113.815 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.41 103.74 15.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.769 0.795 . . . . 25.0 111.463 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -63.59 -27.7 69.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.205 -0.907 . . . . 25.0 111.038 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -90.75 23.2 3.19 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.079 1.14 . . . . 50.0 114.079 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 143.87 33.81 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 105.073 -2.195 . . . . 50.0 105.073 170.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.4 p -86.34 160.97 18.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.266 -1.383 . . . . 50.0 107.266 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.39 -42.25 98.41 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.874 0.369 . . . . 50.0 111.581 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.99 -30.16 68.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 59.8 p -75.74 -17.25 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.708 -0.397 . . . . 50.0 111.926 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -88.9 -13.89 38.05 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 108.869 -0.789 . . . . 50.0 108.869 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 87.91 12.38 66.27 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 110.663 -0.975 . . . . 25.0 110.663 -174.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.85 82.92 2.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.433 -0.581 . . . . 50.0 109.433 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.86 176.09 5.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 50.0 112.259 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.99 127.09 17.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.323 -0.853 . . . . 50.0 112.782 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.36 -10.73 69.29 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.172 -0.922 . . . . 25.0 114.033 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.11 160.75 30.09 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 117.908 0.854 . . . . 50.0 111.43 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 14.5 t -125.13 137.14 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.453 0.538 . . . . 50.0 112.453 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.3 m -118.75 155.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.26 -0.644 . . . . 50.0 109.26 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.46 121.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.966 -0.383 . . . . 50.0 109.966 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.2 tt -102.26 134.5 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.582 -0.895 . . . . 50.0 108.582 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -123.99 109.29 13.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.872 0.469 . . . . 50.0 110.939 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 123.86 1.79 . . . . 50.0 111.804 179.388 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 122.868 1.318 . . . . 25.0 113.761 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.55 155.06 24.22 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 107.211 -2.356 . . . . 25.0 107.211 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -89.07 -42.0 11.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.676 0.738 . . . . 25.0 112.543 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -158.0 171.04 20.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 106.881 -1.525 . . . . 25.0 106.881 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -139.31 165.7 26.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -153.72 149.42 27.47 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.954 -1.498 . . . . 25.0 106.954 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -135.12 166.86 22.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.1 m80 53.84 34.41 19.23 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.846 0.716 . . . . 25.0 111.672 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -96.98 10.93 37.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 25.0 111.305 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -84.19 132.6 34.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.551 -1.278 . . . . 25.0 107.551 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -152.11 145.75 24.98 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -149.03 141.15 23.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 p -153.49 106.94 2.98 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.2 p -155.48 166.4 33.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.837 -1.171 . . . . 25.0 107.837 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.17 156.82 32.17 Favored Glycine 0 C--O 1.226 -0.382 0 C-N-CA 121.412 -0.423 . . . . 25.0 112.133 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -164.58 -49.29 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.91 0.386 . . . . 25.0 110.443 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.3 pt -135.36 162.15 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 25.0 110.197 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -107.05 9.83 30.43 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.865 0.84 . . . . 25.0 109.115 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.48 -140.45 24.43 Favored Glycine 0 CA--C 1.518 0.224 0 N-CA-C 111.293 -0.723 . . . . 25.0 111.293 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 56.12 22.88 6.37 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.057 1.873 . . . . 25.0 116.057 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -139.91 165.76 26.44 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -135.14 161.05 36.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 123.736 0.647 . . . . 50.0 110.405 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.23 134.66 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.03 0.532 . . . . 50.0 110.06 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.52 150.88 47.03 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.335 -0.987 . . . . 50.0 108.335 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.6 m -103.98 136.44 43.62 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.4 t -125.08 126.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -112.67 109.84 19.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 35.0 t -97.5 129.84 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.49 131.8 72.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 120.959 0.409 . . . . 50.0 111.7 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -126.97 147.16 50.12 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 107.319 -1.363 . . . . 50.0 107.319 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -28.77 63.74 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.041 0.448 . . . . 25.0 111.29 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -74.72 9.2 1.93 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 114.423 1.268 . . . . 50.0 114.423 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.5 mt 59.21 26.84 15.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 122.417 1.104 . . . . 25.0 110.277 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t -90.99 21.44 4.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.888 -1.506 . . . . 25.0 107.628 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.54 151.57 42.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.01 -0.995 . . . . 50.0 111.311 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -153.41 148.8 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.755 -1.202 . . . . 50.0 107.755 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 t -127.56 137.94 52.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.82 175.36 12.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.846 -1.538 . . . . 50.0 106.846 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -129.25 147.89 51.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.918 -0.401 . . . . 50.0 109.918 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -131.87 150.52 52.13 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.185 -0.672 . . . . 50.0 109.185 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 135.91 44.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.321 -0.992 . . . . 50.0 108.321 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.1 m -140.31 158.98 25.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.345 -0.613 . . . . 50.0 109.345 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -83.79 166.02 18.34 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.422 -0.955 . . . . 50.0 108.422 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.05 88.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.57 0.7 . . . . 25.0 110.653 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.3 2.89 51.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 50.0 112.394 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.7 126.58 28.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.387 -0.597 . . . . 50.0 109.387 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.48 153.56 31.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 50.0 111.687 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -36.04 79.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.14 177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -57.77 -45.99 85.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.124 0.488 . . . . 50.0 109.697 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.5 -35.58 77.7 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.611 -0.722 . . . . 50.0 110.263 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -63.86 -36.39 83.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.704 -0.622 . . . . 50.0 112.521 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -66.03 -43.11 88.55 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.56 95.83 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.558 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.96 -42.42 89.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 50.0 111.993 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -73.36 -25.41 60.58 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.237 -0.585 . . . . 50.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -67.82 -42.71 81.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.14 -46.49 86.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.918 -0.583 . . . . 50.0 110.517 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -68.54 -42.9 77.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.216 0.532 . . . . 50.0 111.979 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.2 t -75.73 -26.94 57.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.22 14.64 81.71 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.785 -0.526 . . . . 25.0 111.785 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.61 130.01 22.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.095 -1.446 . . . . 50.0 107.095 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.26 131.93 49.2 Favored 'Trans proline' 0 C--N 1.352 0.761 0 N-CA-C 115.684 1.378 . . . . 50.0 115.684 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.2 -23.58 63.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.45 69.25 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.845 0.355 . . . . 25.0 110.9 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -84.48 15.01 3.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.86 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.8 p -139.03 169.36 17.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 116.675 2.102 . . . . 50.0 116.675 -172.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -117.5 149.36 40.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.996 -1.853 . . . . 50.0 105.996 168.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -116.6 131.37 69.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.213 -1.403 . . . . 25.0 107.213 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 123.729 0.811 . . . . 50.0 110.442 -169.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -140.87 142.06 34.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.59 -1.634 . . . . 50.0 106.59 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.89 44.78 28.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.188 0.518 . . . . 25.0 110.141 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.18 10.04 1.54 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.999 1.852 . . . . 50.0 115.999 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -127.94 146.6 59.7 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 121.594 -0.691 . . . . 25.0 111.408 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.89 150.56 55.52 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 116.2 -2.067 . . . . 50.0 112.975 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 54.1 mt -90.28 140.79 29.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.024 -1.473 . . . . 50.0 107.024 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.9 p -126.46 -43.45 1.75 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.848 1.796 . . . . 25.0 115.848 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -80.54 98.28 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -76.47 -12.05 59.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.76 -17.99 32.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.327 0.584 . . . . 50.0 110.627 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -65.81 150.57 48.34 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 120.577 -0.449 . . . . 50.0 110.346 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 95.0 p -77.82 162.6 26.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.506 -1.294 . . . . 50.0 107.506 171.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.7 mt -67.18 -33.13 74.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.199 0.523 . . . . 50.0 110.006 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.2 70.06 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.358 -0.383 . . . . 25.0 111.228 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.2 m -69.85 -16.48 63.27 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.02 0.378 . . . . 50.0 112.02 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -99.12 -7.09 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.398 -0.593 . . . . 50.0 109.398 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.73 24.15 54.0 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.223 -0.751 . . . . 25.0 111.223 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.59 83.35 1.54 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.103 -0.703 . . . . 50.0 109.103 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.55 164.89 22.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.707 -0.679 . . . . 50.0 112.007 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -54.87 128.64 34.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.234 -0.893 . . . . 50.0 110.217 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.69 -11.83 64.59 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.795 -0.639 . . . . 25.0 114.519 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.75 150.57 48.31 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.314 1.057 . . . . 50.0 111.351 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.66 130.13 65.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.392 -0.822 . . . . 50.0 109.53 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.4 t -116.96 139.14 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.2 -1.407 . . . . 50.0 107.2 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.3 132.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 18.5 tp -116.86 127.86 54.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.311 -1.737 . . . . 50.0 106.311 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -122.94 107.83 12.28 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.792 -0.567 . . . . 50.0 111.162 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 123.693 1.711 . . . . 50.0 111.586 178.55 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 122.722 1.248 . . . . 25.0 113.677 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.69 174.49 44.57 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 109.572 -1.411 . . . . 25.0 109.572 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -146.06 140.89 27.1 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 170.71 21.81 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 -177.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.77 162.16 35.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -100.8 95.13 6.44 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -80.86 117.98 21.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.468 . . . . 25.0 110.873 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.57 153.97 22.91 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.443 -1.318 . . . . 25.0 107.443 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -134.64 165.33 25.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -117.39 162.07 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -149.02 166.11 29.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 103.591 -2.744 . . . . 25.0 103.591 176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -94.23 155.69 16.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.123 -1.066 . . . . 25.0 108.123 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.1 p -149.97 161.15 42.89 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 104.55 -2.389 . . . . 25.0 104.55 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.8 m 51.99 -156.71 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.024 0.827 . . . . 25.0 112.254 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 171.19 -177.21 44.24 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 107.014 -2.434 . . . . 25.0 107.014 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -115.39 101.24 8.72 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.996 -1.113 . . . . 25.0 107.996 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.2 tt -101.72 136.55 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 106.02 -1.845 . . . . 25.0 106.02 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -141.01 145.7 36.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.06 159.48 31.49 Favored Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 108.51 -1.836 . . . . 25.0 108.51 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -78.55 136.99 37.68 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -154.23 170.45 21.21 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 102.237 -3.246 . . . . 25.0 102.237 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -143.01 161.35 38.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.428 0.558 . . . . 50.0 109.725 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.77 135.0 54.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -127.13 157.84 38.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.036 -1.098 . . . . 50.0 108.036 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 m -111.5 143.91 41.58 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.1 t -125.05 119.38 55.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 107.743 -1.206 . . . . 50.0 107.743 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -101.21 108.94 20.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -94.19 124.95 38.52 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.39 127.28 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.421 0.629 . . . . 50.0 110.846 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -110.41 142.97 41.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.719 -1.586 . . . . 50.0 106.719 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -70.05 -8.23 47.55 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 121.224 0.535 . . . . 25.0 110.857 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -99.2 15.97 24.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.079 -0.964 . . . . 50.0 109.641 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt 57.13 25.21 10.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.32 26.05 1.76 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.686 0.755 . . . . 25.0 110.31 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.35 150.58 43.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.86 -1.064 . . . . 50.0 113.208 -172.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -153.2 154.48 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 106.985 -1.487 . . . . 50.0 106.985 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -130.06 141.96 50.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -153.72 170.73 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.7 -1.222 . . . . 50.0 107.7 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -126.08 151.83 46.67 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.239 0.472 . . . . 50.0 110.711 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.01 148.5 48.43 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.323 -0.621 . . . . 50.0 109.323 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.15 139.84 37.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.503 -0.925 . . . . 50.0 108.503 176.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.31 167.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -83.58 162.5 20.81 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.285 -1.005 . . . . 50.0 108.285 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.85 97.67 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 122.122 -0.361 . . . . 25.0 111.326 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -96.44 18.14 14.62 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.602 0.715 . . . . 50.0 111.37 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.74 126.79 28.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.21 148.73 49.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.592 -0.277 . . . . 50.0 110.927 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.75 -29.83 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.907 -0.317 . . . . 50.0 110.192 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -59.35 -43.94 92.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.073 0.463 . . . . 50.0 110.355 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -77.86 -34.18 51.84 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.812 -0.355 . . . . 50.0 110.356 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -64.62 -41.95 95.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.274 0.472 . . . . 50.0 112.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -27.33 66.31 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 120.449 -0.5 . . . . 50.0 110.691 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.44 64.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.94 -43.55 78.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.776 -0.647 . . . . 50.0 111.335 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.3 p -74.92 -25.36 58.85 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.134 -0.626 . . . . 50.0 111.241 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -65.49 -41.58 93.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.67 -48.11 78.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.583 -0.281 . . . . 50.0 111.575 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -68.31 -38.94 82.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.093 0.473 . . . . 50.0 112.014 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 t -82.1 -21.55 36.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.52 27.48 73.41 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.02 -0.61 . . . . 25.0 114.151 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 37.9 pt -126.4 146.8 57.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -64.98 132.88 33.65 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 115.915 -2.257 . . . . 50.0 112.788 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.38 -28.24 69.56 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.899 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.57 -25.38 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -97.16 11.62 35.66 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.264 0.554 . . . . 50.0 110.79 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.4 p -146.53 173.49 12.27 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 113.068 0.766 . . . . 50.0 113.068 -174.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -138.62 144.91 39.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 50.0 110.736 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -100.08 133.18 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.841 0.829 . . . . 25.0 108.823 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.02 133.88 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.059 -0.973 . . . . 50.0 108.69 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -138.58 141.61 39.2 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.94 -1.504 . . . . 50.0 106.94 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.31 41.64 28.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.212 0.53 . . . . 25.0 109.93 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 59.63 11.34 2.34 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.484 1.661 . . . . 50.0 115.484 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -124.58 146.5 52.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 O-C-N 121.499 -0.75 . . . . 25.0 111.586 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.74 150.34 62.07 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 115.785 -2.343 . . . . 50.0 112.54 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.52 137.0 32.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.963 -1.495 . . . . 50.0 106.963 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 82.6 p -126.25 -6.54 6.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.701 2.111 . . . . 25.0 116.701 -170.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -122.19 99.73 6.58 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.821 0.819 . . . . 25.0 109.022 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -75.84 -11.97 60.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.96 -5.97 58.92 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.665 -0.647 . . . . 50.0 110.816 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -86.53 148.76 25.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.371 -0.603 . . . . 50.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 54.8 p -81.85 162.35 22.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.379 -0.828 . . . . 50.0 110.121 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.11 -34.64 78.5 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.07 0.462 . . . . 50.0 111.628 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.76 70.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.517 -0.311 . . . . 25.0 111.315 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -68.47 -18.25 64.37 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.256 -0.277 . . . . 50.0 111.577 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -102.15 -2.44 29.32 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.206 0.527 . . . . 50.0 110.618 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.52 60.37 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-O 119.161 -0.799 . . . . 25.0 113.732 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.46 86.0 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.145 0.972 . . . . 50.0 109.83 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -80.55 163.64 23.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.682 0.754 . . . . 50.0 110.801 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -56.11 122.14 11.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.661 0.744 . . . . 50.0 112.127 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.47 -7.6 56.21 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.514 -0.767 . . . . 25.0 113.454 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -69.51 158.26 35.56 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.165 0.983 . . . . 50.0 109.378 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.58 141.94 44.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.678 -0.692 . . . . 50.0 110.053 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.63 159.27 17.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.277 -1.379 . . . . 50.0 107.277 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.19 120.9 65.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.001 -1.111 . . . . 50.0 108.001 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -98.61 123.22 42.66 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.796 -2.298 . . . . 50.0 104.796 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.06 117.32 28.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.359 -0.838 . . . . 50.0 111.343 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 126.483 3.04 . . . . 50.0 111.296 176.767 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 75.7 mtm . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 124.895 2.283 . . . . 25.0 112.695 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.81 158.64 39.11 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 113.013 -1.903 . . . . 25.0 110.76 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -142.61 137.05 29.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t60 65.56 169.85 0.21 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.494 1.118 . . . . 25.0 110.762 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -152.82 134.21 14.36 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 121.591 -0.693 . . . . 25.0 111.877 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.3 t60 46.19 47.36 13.28 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.13 1.9 . . . . 25.0 116.13 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -71.93 114.71 10.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.801 -1.555 . . . . 25.0 106.801 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -128.24 146.5 50.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.578 0.228 . . . . 25.0 110.962 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -72.03 140.86 49.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -112.58 42.8 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.787 0.803 . . . . 25.0 109.888 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -153.93 143.45 21.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -150.44 133.73 16.31 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.5 t 54.11 30.16 11.58 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.301 1.223 . . . . 25.0 114.301 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m 60.38 179.3 0.1 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.863 0.865 . . . . 25.0 113.048 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.08 151.74 17.39 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 109.144 -1.582 . . . . 25.0 109.144 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -75.09 154.08 38.03 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.3 tt -146.59 156.08 11.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 105.028 -2.212 . . . . 25.0 105.028 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -71.93 140.6 49.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -108.15 -81.71 1.37 Allowed Glycine 0 C--O 1.222 -0.637 0 C-N-CA 121.507 -0.378 . . . . 25.0 112.776 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 53.26 47.04 25.21 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.521 0.728 . . . . 25.0 112.867 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -123.45 163.2 21.33 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -110.59 162.47 14.69 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.558 -0.534 . . . . 50.0 109.558 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 134.64 53.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.385 -0.968 . . . . 50.0 108.385 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.12 152.47 41.07 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.607 -0.886 . . . . 50.0 108.607 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.1 m -102.65 140.13 37.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.777 -1.194 . . . . 25.0 107.777 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.07 130.37 73.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 50.0 108.312 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -116.22 112.45 21.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.1 t -97.58 122.07 40.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.42 126.6 70.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.329 0.585 . . . . 50.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.71 143.75 42.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.963 -1.495 . . . . 50.0 106.963 173.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.55 -27.42 68.61 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.298 0.57 . . . . 25.0 110.25 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.72 11.5 1.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.356 1.243 . . . . 50.0 114.356 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.1 mt 58.59 23.1 10.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.335 1.054 . . . . 25.0 112.02 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.4 t -92.71 25.76 2.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.558 -1.201 . . . . 25.0 108.317 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.154 -0.93 . . . . 50.0 111.547 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.4 154.85 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.393 -1.336 . . . . 50.0 107.393 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 t -133.75 147.17 51.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 174.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -154.19 176.09 12.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.61 -1.996 . . . . 50.0 105.61 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 p -132.56 153.45 50.98 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.543 -0.54 . . . . 50.0 109.543 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.0 mt -129.84 147.2 51.58 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 109.121 -0.696 . . . . 50.0 109.121 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -103.99 126.51 51.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.075 -1.824 . . . . 50.0 106.075 172.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.4 m -136.73 161.95 35.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 107.687 -1.227 . . . . 50.0 107.687 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -84.56 165.34 18.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.714 -0.847 . . . . 50.0 108.714 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.57 86.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -91.3 17.12 8.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.431 0.9 . . . . 50.0 113.431 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.35 128.15 35.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.512 -0.742 . . . . 50.0 110.64 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -69.08 151.97 45.77 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.754 0.311 . . . . 50.0 111.345 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.102 172.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -64.75 -36.79 85.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 50.0 111.09 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -77.87 -35.5 50.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.782 0.801 . . . . 50.0 109.473 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.0 -44.5 96.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 50.0 112.019 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -27.97 68.83 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 119.925 -0.71 . . . . 50.0 110.908 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.98 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.158 0.435 . . . . 25.0 109.885 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.99 -38.96 92.7 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.232 0.539 . . . . 50.0 110.366 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.3 t -63.86 -42.86 97.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.207 0.527 . . . . 50.0 110.489 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.92 -39.85 93.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.566 . . . . 25.0 110.695 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.56 -48.4 81.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.207 0.447 . . . . 50.0 112.207 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -75.63 -34.74 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.213 0.449 . . . . 50.0 112.213 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 84.2 p -77.74 -25.56 49.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.054 -0.404 . . . . 25.0 111.446 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.71 13.75 78.18 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 121.001 -0.618 . . . . 25.0 114.116 175.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.41 148.28 63.47 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.72 -0.844 . . . . 50.0 108.72 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -63.39 135.31 49.26 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 116.397 -1.935 . . . . 50.0 113.947 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.31 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.729 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.94 -21.67 66.44 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.163 -0.471 . . . . 25.0 112.258 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.86 9.92 40.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 50.0 109.786 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.7 m -134.43 155.32 50.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.857 1.428 . . . . 50.0 114.857 -171.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -113.26 143.27 44.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.507 -1.664 . . . . 50.0 106.507 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -123.84 132.81 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.97 152.98 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.538 0.685 . . . . 50.0 111.666 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -141.44 137.01 31.89 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.196 -2.15 . . . . 50.0 105.196 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.68 43.31 24.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.367 0.417 . . . . 25.0 111.406 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 57.63 23.87 9.85 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -132.39 148.18 68.66 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.06 153.33 52.06 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 116.493 -1.871 . . . . 50.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.6 mt -103.59 116.1 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.325 -1.732 . . . . 50.0 106.325 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.4 p -130.15 -37.65 1.45 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 117.089 2.255 . . . . 25.0 117.089 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -83.54 109.34 17.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 -168.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -68.61 -17.1 64.05 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.869 -0.519 . . . . 25.0 109.807 173.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -75.07 5.39 5.34 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.649 0.78 . . . . 50.0 111.307 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -126.69 140.27 52.52 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.175 0.512 . . . . 50.0 109.686 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -80.76 165.02 22.31 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.905 -1.517 . . . . 50.0 106.905 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.58 -33.07 75.06 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.819 -0.551 . . . . 50.0 111.28 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.14 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.948 -0.47 . . . . 25.0 110.35 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.6 m -70.98 -16.5 62.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.626 -0.261 . . . . 50.0 111.203 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -97.5 -4.05 38.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.841 -0.429 . . . . 50.0 109.841 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.99 16.86 60.38 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-O 119.632 -0.538 . . . . 25.0 114.205 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.1 86.57 0.75 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.029 0.915 . . . . 50.0 111.326 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 157.14 37.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.402 -0.817 . . . . 50.0 111.286 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -59.47 130.04 44.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.624 0.726 . . . . 50.0 109.386 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.69 -10.78 70.52 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.097 -0.956 . . . . 25.0 113.733 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.04 161.86 29.61 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 118.144 0.972 . . . . 50.0 111.358 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.03 129.46 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.729 1.011 . . . . 50.0 113.729 -171.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.17 141.72 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.433 -1.321 . . . . 50.0 107.433 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 92.1 mt -116.97 131.27 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.56 -0.904 . . . . 50.0 108.56 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.1 tt -123.78 140.71 52.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.435 -0.95 . . . . 50.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -132.88 124.33 27.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.666 0.269 . . . . 50.0 110.935 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 122.953 1.359 . . . . 50.0 110.19 175.405 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 124.482 2.087 . . . . 25.0 113.121 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.92 -168.46 52.26 Favored Glycine 0 C--O 1.223 -0.537 0 CA-C-N 113.231 -1.804 . . . . 25.0 112.684 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -122.56 46.78 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -68.4 138.31 55.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.296 -0.865 . . . . 25.0 111.576 -175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -127.82 69.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.655 0.74 . . . . 25.0 109.889 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -154.14 168.09 27.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -137.67 156.46 48.0 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.256 -1.386 . . . . 25.0 107.256 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -141.34 132.85 26.92 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.439 -0.208 . . . . 25.0 110.439 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -157.43 72.1 0.67 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -82.0 64.04 6.5 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.497 0.665 . . . . 25.0 111.678 -176.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -132.38 135.59 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -76.31 141.18 41.68 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.6 p -78.75 -27.77 44.78 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.871 0.322 . . . . 25.0 111.871 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.0 p -164.33 177.66 8.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.701 -1.222 . . . . 25.0 107.701 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.39 155.74 27.14 Favored Glycine 0 N--CA 1.452 -0.247 0 N-CA-C 106.24 -2.744 . . . . 25.0 106.24 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -82.21 139.46 34.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.195 0.998 . . . . 25.0 108.873 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.73 166.86 27.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -126.17 149.35 49.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.76 -175.43 37.46 Favored Glycine 0 C--O 1.224 -0.507 0 N-CA-C 108.81 -1.716 . . . . 25.0 108.81 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.09 157.97 41.2 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.509 -0.922 . . . . 25.0 108.509 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -167.15 177.31 6.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 101.514 -3.514 . . . . 25.0 101.514 173.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -136.53 159.85 40.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.116 -1.068 . . . . 50.0 108.116 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.2 tp -116.86 131.09 57.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.458 -0.942 . . . . 50.0 108.458 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -121.77 157.84 30.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.7 m -109.26 138.61 45.35 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.04 125.93 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.755 -1.202 . . . . 50.0 107.755 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -111.57 124.53 52.48 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.089 -1.819 . . . . 25.0 106.089 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.5 m -111.35 116.58 31.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.45 129.86 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.226 -0.443 . . . . 50.0 110.471 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.406 ' HD2' ' HB2' ' A' ' 113' ' ' SER . 93.4 mtt180 -114.34 149.97 35.25 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.403 -1.332 . . . . 50.0 107.403 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -61.05 -28.02 68.76 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.89 20.31 4.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.983 -0.553 . . . . 50.0 112.018 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.91 23.01 7.72 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -83.89 26.1 0.75 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.487 1.115 . . . . 25.0 111.305 176.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -72.38 152.84 41.78 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.628 -1.169 . . . . 50.0 112.353 -168.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.2 160.48 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.709 -1.219 . . . . 50.0 107.709 -172.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -138.81 150.75 46.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -157.61 174.23 15.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.24 -1.763 . . . . 50.0 106.24 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -123.5 151.45 42.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.017 -0.364 . . . . 50.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -133.59 145.76 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 50.0 110.749 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -102.32 131.99 48.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.707 -0.849 . . . . 50.0 108.707 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 m -146.08 166.08 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.225 -1.028 . . . . 50.0 108.225 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.89 166.22 15.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.986 -1.487 . . . . 50.0 106.986 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.83 95.92 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.883 -0.511 . . . . 25.0 110.38 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -91.21 16.83 9.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.623 0.725 . . . . 50.0 112.427 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.19 131.7 46.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.648 -0.871 . . . . 50.0 108.648 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -66.72 150.88 48.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.69 0.281 . . . . 50.0 111.504 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -37.35 86.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.971 -0.381 . . . . 50.0 109.971 172.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.43 -34.11 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.264 0.554 . . . . 50.0 110.933 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.34 -40.45 51.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.11 -0.7 . . . . 50.0 109.11 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.35 -43.71 98.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.88 0.696 . . . . 50.0 112.88 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -27.87 68.0 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.242 -0.583 . . . . 50.0 110.813 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.88 -37.24 64.78 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.44 -45.62 90.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.365 . . . . 50.0 110.892 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.0 p -72.19 -25.39 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.597 -0.841 . . . . 50.0 111.198 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.43 -42.38 96.05 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -44.91 91.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 50.0 111.779 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -68.58 -35.27 77.14 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.426 0.528 . . . . 50.0 112.426 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.0 p -92.52 -17.97 23.77 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.75 32.97 79.1 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.913 -0.66 . . . . 25.0 114.495 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.0 157.78 42.47 Favored Pre-proline 0 N--CA 1.469 0.487 0 CA-C-N 117.247 0.523 . . . . 50.0 110.661 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.97 113.99 3.84 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 114.508 -3.195 . . . . 50.0 108.954 165.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.37 -22.98 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.287 -0.883 . . . . 25.0 110.805 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.28 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.609 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -97.58 15.11 24.32 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.904 0.383 . . . . 50.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.6 p -135.43 166.89 22.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.545 0.688 . . . . 50.0 112.315 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -133.48 151.98 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 105.874 -1.899 . . . . 50.0 105.874 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.4 tt -124.1 133.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.0 t -124.62 137.64 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.642 -0.708 . . . . 50.0 111.364 -168.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -137.94 140.36 40.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.333 -1.358 . . . . 50.0 107.333 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.5 43.16 27.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.123 0.487 . . . . 25.0 110.833 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 61.72 5.76 1.4 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.872 1.804 . . . . 50.0 115.872 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -117.98 144.37 34.54 Favored Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 121.694 -0.629 . . . . 25.0 110.826 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.67 146.5 49.01 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 116.071 -2.153 . . . . 50.0 112.58 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 14.0 mt -92.72 83.66 4.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.917 -1.038 . . . . 50.0 109.02 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.2 p -104.43 -18.31 14.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.55 80.66 7.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.376 -0.972 . . . . 25.0 108.376 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.71 -12.55 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 -170.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.578 0.704 . . . . 50.0 109.861 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -75.58 148.61 38.71 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.274 0.559 . . . . 50.0 111.896 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 64.6 p -81.53 163.06 22.94 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.84 -1.17 . . . . 50.0 107.84 171.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.59 -30.04 70.72 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 121.15 0.5 . . . . 50.0 111.508 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.06 -30.21 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.432 -0.349 . . . . 25.0 111.117 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.1 t -69.86 -16.56 63.27 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.118 -0.364 . . . . 50.0 111.587 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -101.47 -6.84 23.45 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.295 -0.632 . . . . 50.0 109.295 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.37 27.8 46.75 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 119.36 -0.689 . . . . 25.0 113.027 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.38 86.42 0.42 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.108 0.954 . . . . 50.0 110.267 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -71.95 158.61 35.7 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.22 -0.9 . . . . 50.0 109.0 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -59.53 132.41 53.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.774 -0.824 . . . . 50.0 108.774 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.8 -13.67 65.9 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.452 -0.794 . . . . 25.0 113.801 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -64.99 149.38 49.92 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 118.202 1.001 . . . . 50.0 109.637 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.5 136.28 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 50.0 109.787 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 29.0 m -113.6 149.97 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.721 -1.214 . . . . 50.0 107.721 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 61.6 mt -117.13 105.92 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.886 -0.783 . . . . 50.0 108.886 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 tt -86.28 136.2 33.25 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.869 -1.9 . . . . 50.0 105.869 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -127.82 117.67 22.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.206 -1.219 0 CA-C-O 124.775 2.226 . . . . 50.0 110.41 178.193 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 122.535 1.159 . . . . 25.0 113.337 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.13 166.6 26.65 Favored Glycine 0 C--N 1.337 0.635 0 N-CA-C 106.83 -2.508 . . . . 25.0 106.83 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -130.2 132.67 46.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.997 0.899 . . . . 25.0 110.35 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -132.45 11.67 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -129.29 146.31 51.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -135.86 160.34 38.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.271 . . . . 25.0 111.108 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -87.27 149.51 24.51 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.495 -0.928 . . . . 25.0 108.495 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -131.56 177.01 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 14.5 m80 59.73 38.69 21.59 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.354 0.661 . . . . 25.0 112.608 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -130.03 134.49 47.44 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -152.09 142.59 22.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.992 -0.744 . . . . 25.0 108.992 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -151.1 130.56 12.93 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.8 m -146.15 159.67 42.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.4 t -154.03 155.43 35.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.339 -1.726 . . . . 25.0 106.339 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.89 82.65 0.07 OUTLIER Glycine 0 C--O 1.223 -0.554 0 N-CA-C 111.294 -0.723 . . . . 25.0 111.294 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -84.5 144.6 28.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 84.8 mt -132.29 128.76 59.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 105.28 -2.119 . . . . 25.0 105.28 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -146.79 161.31 40.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.02 -173.89 31.13 Favored Glycine 0 C--O 1.228 -0.266 0 N-CA-C 110.154 -1.178 . . . . 25.0 110.154 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -90.93 137.59 32.25 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -145.26 170.06 17.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 48.6 mtm -98.94 160.05 14.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.133 -1.432 . . . . 50.0 107.133 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.17 124.75 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.086 -1.45 . . . . 50.0 107.086 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.91 154.06 36.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 108.319 -0.993 . . . . 50.0 108.319 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.7 m -106.28 135.67 47.35 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.0 127.57 75.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.623 -1.251 . . . . 50.0 107.623 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.86 110.33 20.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.0 t -97.52 119.11 35.49 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.7 t -105.88 123.85 60.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 120.926 0.393 . . . . 50.0 111.214 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -107.32 144.03 34.75 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 106.724 -1.584 . . . . 50.0 106.724 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -63.74 -19.3 64.85 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -91.91 22.93 3.93 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 123.55 0.74 . . . . 50.0 111.441 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt 55.59 23.43 6.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.395 1.078 . . . . 25.0 113.484 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.53 25.65 2.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.932 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.25 149.46 44.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.8 -1.091 . . . . 50.0 111.013 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.16 156.9 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 106.79 -1.559 . . . . 50.0 106.79 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -133.3 148.58 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.77 168.36 25.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.413 -1.699 . . . . 50.0 106.413 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.2 m -115.33 146.2 41.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.51 -0.552 . . . . 50.0 109.51 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.97 142.66 50.58 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.51 -0.552 . . . . 50.0 109.51 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -101.67 127.36 48.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.102 -1.444 . . . . 50.0 107.102 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -140.67 160.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.711 -0.477 . . . . 50.0 109.711 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.01 166.26 22.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.155 -1.054 . . . . 50.0 108.155 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.81 99.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 25.0 110.553 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -98.7 19.52 14.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.633 0.73 . . . . 50.0 111.51 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -60.74 133.1 55.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.6 . . . . 50.0 110.795 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.81 145.89 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.436 0.532 . . . . 50.0 112.436 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -37.0 82.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 173.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -57.55 -47.98 80.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.528 . . . . 50.0 110.604 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.0 -29.78 64.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.09 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.723 -0.61 . . . . 50.0 111.328 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -64.87 -41.73 95.42 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 109.108 -0.701 . . . . 50.0 109.108 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.14 93.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.364 -0.834 . . . . 25.0 110.812 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.61 -45.82 88.57 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.085 -0.384 . . . . 50.0 111.36 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.4 p -70.99 -25.46 62.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.068 -0.653 . . . . 50.0 111.447 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.77 -46.68 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.49 -45.4 83.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 50.0 112.282 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.63 -32.29 72.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.187 0.518 . . . . 50.0 111.829 -176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.4 t -88.37 -25.56 22.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.99 32.7 58.4 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.981 -0.628 . . . . 25.0 114.207 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.3 pt -128.6 151.78 77.48 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 122.489 -0.418 . . . . 50.0 109.901 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -68.15 133.69 29.43 Favored 'Trans proline' 0 C--O 1.24 0.6 0 C-N-CA 116.827 -1.648 . . . . 50.0 113.48 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.74 67.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.96 -0.462 . . . . 25.0 111.082 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.26 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.951 0.405 . . . . 25.0 111.824 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.12 9.87 41.55 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.068 0.461 . . . . 50.0 110.214 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.5 m -128.26 148.31 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.808 1.41 . . . . 50.0 114.808 -170.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -128.18 146.94 50.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.381 -1.34 . . . . 50.0 107.381 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -121.34 133.36 68.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.1 t -135.54 135.48 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 123.79 0.836 . . . . 50.0 110.701 -169.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -138.39 139.01 38.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.603 -1.629 . . . . 50.0 106.603 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 41.83 28.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.124 0.488 . . . . 25.0 110.537 -175.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.61 12.66 2.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.378 1.622 . . . . 50.0 115.378 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -122.08 141.4 34.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.576 -0.703 . . . . 25.0 110.785 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.9 147.25 92.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 116.561 -1.826 . . . . 50.0 113.504 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 57.6 mt -92.95 118.48 31.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.401 -1.333 . . . . 50.0 107.401 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.9 p -127.74 -25.15 3.15 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 117.427 2.38 . . . . 25.0 117.427 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -86.43 97.39 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.781 0.719 . . . . 25.0 110.231 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -63.88 -21.87 66.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -82.96 -20.01 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.23 0.538 . . . . 50.0 111.945 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -76.07 145.11 40.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.734 -0.386 . . . . 50.0 110.009 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.4 p -81.99 163.14 22.35 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.295 -1.002 . . . . 50.0 108.295 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.916 0.389 . . . . 50.0 111.323 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.21 71.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.258 -0.276 . . . . 25.0 110.695 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.0 m -69.47 -16.52 63.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.87 0.322 . . . . 50.0 111.87 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -99.97 -8.08 24.36 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.022 0.439 . . . . 50.0 109.92 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.39 19.46 56.87 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-O 119.074 -0.848 . . . . 25.0 113.694 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.94 83.4 1.23 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.332 1.066 . . . . 50.0 109.72 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.57 162.01 27.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.702 -0.681 . . . . 50.0 109.365 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -57.25 130.25 45.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.056 -0.72 . . . . 50.0 109.056 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.88 60.93 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.49 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -72.78 161.76 30.33 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 118.593 1.197 . . . . 50.0 111.288 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 31.0 t -123.11 131.01 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.403 0.62 . . . . 50.0 111.703 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.61 137.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.27 -1.011 . . . . 50.0 108.27 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.74 127.21 60.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.294 -1.002 . . . . 50.0 108.294 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.3 tt -114.69 133.97 55.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 105.478 -2.045 . . . . 50.0 105.478 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -126.98 121.1 30.74 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.95 -0.469 . . . . 50.0 109.843 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 123.847 1.784 . . . . 50.0 110.802 179.652 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.807 0.813 . . . . 25.0 112.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.54 18.01 71.96 Favored Glycine 0 C--N 1.341 0.856 0 O-C-N 121.59 -0.693 . . . . 25.0 113.099 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -114.64 139.48 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -116.68 67.79 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.359 0.6 . . . . 25.0 112.18 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -104.67 132.74 50.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 176.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -126.69 133.04 51.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -140.54 77.85 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.942 0.401 . . . . 25.0 110.71 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -71.18 -46.92 60.33 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 120.942 -0.303 . . . . 25.0 111.753 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 52.72 50.01 19.04 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 50.4 m80 63.61 -153.24 0.32 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.072 0.949 . . . . 25.0 110.625 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -159.29 178.81 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -134.3 163.62 29.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 104.892 -2.262 . . . . 25.0 104.892 172.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 p -146.13 -61.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.98 0.175 . . . . 25.0 110.577 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.1 m 60.82 -176.18 0.11 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.813 0.845 . . . . 25.0 111.137 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.64 11.94 80.5 Favored Glycine 0 C--O 1.223 -0.59 0 C-N-CA 120.789 -0.719 . . . . 25.0 113.591 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -80.12 76.58 6.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.163 0.506 . . . . 25.0 110.015 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.6 pt -137.81 165.12 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.15 -1.056 . . . . 25.0 108.15 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.63 162.48 37.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 104.318 -2.475 . . . . 25.0 104.318 175.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.76 23.48 0.07 OUTLIER Glycine 0 C--O 1.226 -0.388 0 C-N-CA 121.184 -0.531 . . . . 25.0 113.853 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -112.39 16.35 19.95 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.754 0.777 . . . . 25.0 111.443 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -120.02 161.68 20.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -133.36 163.8 28.52 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -110.44 120.92 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 50.0 111.075 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.85 144.04 43.68 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.594 -0.521 . . . . 50.0 109.594 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.59 137.22 34.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.08 128.58 73.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.347 -0.983 . . . . 50.0 108.347 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -121.07 107.29 12.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.45 ' HG ' ' HB3' ' A' ' 174' ' ' LEU . 79.1 m -99.0 132.82 44.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.806 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 134.7 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.516 -0.311 . . . . 50.0 111.283 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -113.5 154.83 26.42 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.404 -1.702 . . . . 50.0 106.404 171.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -62.9 -32.17 73.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.92 0.391 . . . . 25.0 109.984 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.24 18.35 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.606 1.162 . . . . 50.0 113.942 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.0 mt 59.46 26.67 15.66 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.68 25.69 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.418 0.628 . . . . 25.0 110.645 175.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.34 152.35 42.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.039 -0.982 . . . . 50.0 113.492 -171.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 p -151.84 152.78 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.562 -1.273 . . . . 50.0 107.562 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -135.21 141.88 45.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -155.96 -177.82 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.214 -1.402 . . . . 50.0 107.214 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.9 m -134.23 151.77 51.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.275 -0.265 . . . . 50.0 110.524 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.69 146.86 50.43 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.117 0.567 . . . . 50.0 110.275 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -105.94 121.82 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.47 -1.307 . . . . 50.0 107.47 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.48 164.51 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 122.831 0.452 . . . . 50.0 110.24 -173.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.24 157.96 32.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.18 70.7 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.531 -0.731 . . . . 25.0 109.539 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.75 4.6 46.88 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.714 -0.676 . . . . 50.0 112.466 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.23 131.23 48.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.861 -0.422 . . . . 50.0 109.861 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.01 150.52 47.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.074 -0.343 . . . . 50.0 110.074 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.33 -29.28 70.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.841 -0.344 . . . . 50.0 110.523 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.21 -39.7 93.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.544 . . . . 50.0 110.536 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.63 -36.3 57.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.769 0.795 . . . . 50.0 109.171 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -61.34 -45.59 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.95 -0.469 . . . . 50.0 111.752 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -66.47 -27.93 68.18 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.338 -0.545 . . . . 50.0 110.81 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.34 74.55 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.39 -37.37 85.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.99 -0.444 . . . . 50.0 109.947 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 73.5 m -63.98 -40.67 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.262 -0.273 . . . . 50.0 110.262 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.63 -40.15 93.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.96 -0.385 . . . . 25.0 109.96 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.96 -45.98 91.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.71 -35.64 67.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.075 0.464 . . . . 50.0 112.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.0 m -88.59 -25.5 22.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.746 1.387 . . . . 25.0 114.746 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.73 32.77 85.31 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.011 -0.614 . . . . 25.0 113.311 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.83 146.29 34.78 Favored Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 122.288 -0.537 . . . . 50.0 111.869 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.42 122.36 9.13 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 116.862 -1.625 . . . . 50.0 112.152 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.18 72.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 25.0 111.392 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.51 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -103.8 15.98 27.45 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.078 0.466 . . . . 50.0 110.658 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.8 p -133.66 163.27 29.82 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.881 1.437 . . . . 50.0 114.881 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -132.79 153.68 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.868 -1.53 . . . . 50.0 106.868 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -124.14 132.21 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.7 t -134.14 136.52 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.805 0.842 . . . . 50.0 110.71 -168.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -140.79 143.63 34.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.824 -1.547 . . . . 50.0 106.824 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.04 40.05 27.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.416 0.627 . . . . 25.0 110.732 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 58.24 17.66 4.8 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.002 1.482 . . . . 50.0 115.002 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -128.47 143.82 49.72 Favored Pre-proline 0 N--CA 1.468 0.459 0 O-C-N 121.755 -0.59 . . . . 25.0 110.699 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -71.61 145.67 47.42 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 116.332 -1.979 . . . . 50.0 112.319 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.4 mt -88.42 78.78 7.85 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.959 -1.126 . . . . 50.0 107.959 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 53.7 p -76.3 -29.74 57.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -172.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -94.69 101.62 13.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -84.88 -9.6 57.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -79.84 -16.78 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.593 0.711 . . . . 50.0 110.295 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 23.0 mtt85 -74.1 148.43 41.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.743 -0.662 . . . . 50.0 109.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -79.97 164.74 23.25 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.724 -0.843 . . . . 50.0 108.724 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.78 -38.89 86.84 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 121.267 0.556 . . . . 50.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.16 -30.24 66.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.017 -0.538 . . . . 25.0 112.251 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.7 t -70.98 -17.99 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.301 0.482 . . . . 50.0 112.301 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -101.05 -6.33 24.54 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.646 -0.501 . . . . 50.0 109.646 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.88 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.6 83.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.434 -0.58 . . . . 50.0 109.434 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -88.66 172.13 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.268 -0.878 . . . . 50.0 112.499 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 128.22 32.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.553 -0.749 . . . . 50.0 109.942 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.5 -15.81 58.38 Favored Glycine 0 CA--C 1.516 0.152 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.316 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.97 155.98 38.27 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 118.472 1.136 . . . . 50.0 111.076 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 43.1 t -118.09 127.66 75.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.374 -0.83 . . . . 50.0 109.541 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.2 t -108.76 133.03 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.498 -1.297 . . . . 50.0 107.498 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.86 125.86 64.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.056 -0.72 . . . . 50.0 109.056 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.45 ' HB3' ' HG ' ' A' ' 107' ' ' CYS . 8.3 tt -113.44 138.23 50.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.278 -1.379 . . . . 50.0 107.278 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.75 122.98 38.99 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 123.294 1.521 . . . . 50.0 110.653 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 124.932 2.301 . . . . 25.0 112.426 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.35 165.7 14.17 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 112.847 -1.979 . . . . 25.0 111.105 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -162.01 163.08 29.06 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -152.03 138.8 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.055 -0.35 . . . . 25.0 110.055 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -156.71 139.45 15.13 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -151.82 152.24 32.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -157.15 131.98 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -142.16 156.93 45.37 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.252 -0.648 . . . . 25.0 109.252 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -152.22 137.66 17.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.256 -1.387 . . . . 25.0 107.256 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -81.59 -31.57 32.47 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 52.78 61.39 3.21 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -66.32 149.94 49.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.2 t -149.58 143.14 25.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.6 m -147.59 162.51 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.0 -158.39 14.31 Favored Glycine 0 C--O 1.225 -0.417 0 N-CA-C 109.774 -1.33 . . . . 25.0 109.774 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 56.52 56.94 5.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 pt -131.01 160.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -108.97 162.02 14.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.12 178.84 41.63 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 108.96 -1.656 . . . . 25.0 108.96 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -140.26 117.05 10.96 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -141.24 176.68 8.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 105.514 -2.032 . . . . 25.0 105.514 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -126.32 172.88 9.75 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.036 -1.098 . . . . 50.0 108.036 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.1 tp -125.51 130.46 51.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.194 -0.669 . . . . 50.0 109.194 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -119.43 158.74 25.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.862 -1.162 . . . . 50.0 107.862 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -110.88 142.56 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.05 132.32 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.665 -1.235 . . . . 50.0 107.665 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -119.48 111.37 18.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.185 -1.042 . . . . 25.0 108.185 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.5 t -97.4 122.68 40.73 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.22 -1.03 . . . . 25.0 108.22 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.47 124.36 67.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-O 121.29 0.567 . . . . 50.0 111.62 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -105.42 147.1 28.62 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 105.915 -1.883 . . . . 50.0 105.915 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 -70.76 -19.55 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.774 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -92.22 27.46 2.19 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.902 -0.59 . . . . 50.0 112.152 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.3 mt 55.22 34.76 23.41 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 122.305 1.05 . . . . 25.0 112.967 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 25.76 10.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.504 -1.225 . . . . 25.0 111.429 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 -72.23 154.25 41.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.945 0.878 . . . . 50.0 112.608 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.26 152.44 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.478 -1.675 . . . . 50.0 106.478 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.0 t -136.65 146.63 46.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -156.43 173.66 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.6 -1.63 . . . . 50.0 106.6 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.0 m -121.13 150.96 40.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.674 -0.491 . . . . 50.0 109.674 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -129.1 142.21 50.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.269 -0.423 . . . . 50.0 109.872 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -100.65 127.04 47.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.995 -1.483 . . . . 50.0 106.995 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.19 161.11 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.186 -0.672 . . . . 50.0 109.186 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -77.37 161.31 28.13 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.26 -0.644 . . . . 50.0 109.26 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.53 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.475 0.655 . . . . 25.0 109.998 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.0 15.68 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.616 0.722 . . . . 50.0 111.631 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.88 132.03 46.08 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.774 -0.824 . . . . 50.0 108.774 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 147.13 53.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.695 0.283 . . . . 50.0 111.275 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.46 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.649 0.261 . . . . 50.0 110.789 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.892 0.377 . . . . 50.0 110.67 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -77.9 -32.44 51.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.507 -0.315 . . . . 50.0 110.599 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.34 -47.93 83.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.808 -0.558 . . . . 50.0 110.941 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -65.72 -27.86 68.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.396 -0.522 . . . . 50.0 111.579 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.54 74.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.092 0.472 . . . . 25.0 109.977 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.12 -38.6 88.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.65 -37.96 89.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.396 -0.366 . . . . 50.0 111.075 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.4 -50.36 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.674 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.11 -33.74 70.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.637 0.606 . . . . 50.0 112.637 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.1 t -89.17 -18.22 27.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.68 32.97 82.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 115.477 0.951 . . . . 25.0 115.477 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.6 pt -134.43 147.52 63.82 Favored Pre-proline 0 N--CA 1.469 0.504 0 CA-C-N 117.177 0.488 . . . . 50.0 110.769 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.61 119.53 6.65 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.217 -1.389 . . . . 50.0 112.524 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.47 -26.5 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.92 0.39 . . . . 25.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.37 67.86 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.055 -0.52 . . . . 25.0 112.246 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -98.13 14.83 26.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.91 0.386 . . . . 50.0 110.978 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.7 p -134.23 165.8 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.506 0.928 . . . . 50.0 113.506 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -131.13 148.91 52.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.2 -1.037 . . . . 50.0 108.2 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 tt -121.69 136.49 58.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.571 0.701 . . . . 25.0 109.917 -176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.8 p -139.72 143.96 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.499 -0.926 . . . . 50.0 108.499 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -141.17 134.79 30.07 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.136 -1.431 . . . . 50.0 107.136 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 45.29 24.6 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 123.472 0.483 . . . . 25.0 110.093 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 60.21 6.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.747 1.758 . . . . 50.0 115.747 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -116.05 133.31 22.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.99 149.25 46.54 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.875 -1.617 . . . . 50.0 113.855 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 75.8 mt -100.59 53.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.425 -0.954 . . . . 50.0 108.425 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -25.09 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.47 89.18 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.191 0.996 . . . . 25.0 108.432 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -70.9 -13.33 61.98 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -81.31 -14.71 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 50.0 111.415 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -76.89 152.92 35.19 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 120.834 0.349 . . . . 50.0 110.351 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 12.0 m -80.7 162.81 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.903 -0.777 . . . . 50.0 108.903 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.92 -38.3 87.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.45 0.643 . . . . 50.0 109.797 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.08 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.934 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m -69.37 -17.24 63.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.18 0.437 . . . . 50.0 112.18 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -101.75 -3.97 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 50.0 110.061 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.35 21.58 72.58 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.516 -0.634 . . . . 25.0 111.516 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.59 82.57 2.02 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 121.419 0.628 . . . . 50.0 109.504 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.16 171.05 14.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.948 -1.024 . . . . 50.0 111.371 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.69 129.59 37.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.22 -0.9 . . . . 50.0 111.141 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.56 -12.23 66.34 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 114.816 -1.084 . . . . 25.0 113.756 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -68.96 151.15 46.9 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 118.399 1.1 . . . . 50.0 110.499 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.68 129.31 72.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.421 -0.809 . . . . 50.0 109.531 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.07 154.97 7.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.339 -1.356 . . . . 50.0 107.339 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.3 mt -122.32 127.41 75.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.329 -1.36 . . . . 50.0 107.329 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -117.0 136.12 53.18 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.627 -1.62 . . . . 50.0 106.627 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -120.71 120.36 35.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.196 -0.298 . . . . 50.0 110.196 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--O 1.208 -1.122 0 CA-C-O 124.419 2.057 . . . . 50.0 111.236 179.281 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.506 2.333 0 CA-C-O 124.018 1.866 . . . . 25.0 114.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.76 159.16 29.66 Favored Glycine 0 CA--C 1.536 1.364 0 O-C-N 118.462 -2.649 . . . . 25.0 112.042 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -150.5 139.66 21.17 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.81 1.805 . . . . 25.0 110.975 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -146.73 145.63 30.04 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -152.37 139.01 18.75 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 119.826 -0.75 . . . . 25.0 109.022 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -161.15 61.71 0.28 Allowed 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 105.753 -1.943 . . . . 25.0 105.753 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -66.09 153.43 42.33 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.823 -1.173 . . . . 25.0 112.8 -173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -91.08 145.06 25.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 107.748 -1.205 . . . . 25.0 107.748 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -123.79 141.96 51.55 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.73 88.47 2.06 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.87 1.214 . . . . 25.0 112.254 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -129.94 147.39 51.69 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 103.567 -2.753 . . . . 25.0 103.567 173.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -75.06 -42.51 56.81 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 124.653 1.221 . . . . 25.0 114.162 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m 61.43 173.02 0.11 Allowed 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 116.035 1.865 . . . . 25.0 116.035 171.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t 51.07 -164.66 0.05 OUTLIER 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 113.623 -1.626 . . . . 25.0 113.037 -175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -107.35 -167.82 22.01 Favored Glycine 0 C--O 1.203 -1.815 0 N-CA-C 109.737 -1.345 . . . . 25.0 109.737 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -141.59 108.38 5.39 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 118.425 -0.798 . . . . 25.0 110.182 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.7 mm 58.73 60.92 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.623 0 O-C-N 125.973 2.046 . . . . 25.0 114.064 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -132.19 146.78 52.25 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.18 -159.8 32.34 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 109.827 -1.309 . . . . 25.0 109.827 -172.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -100.59 107.64 19.36 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 123.573 1.654 . . . . 25.0 109.2 174.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -136.79 159.66 41.19 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 113.567 -1.651 . . . . 25.0 109.43 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -142.93 156.89 44.97 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 108.742 -0.836 . . . . 50.0 108.742 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -110.46 125.85 53.72 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.871 -1.529 . . . . 50.0 106.871 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.34 158.39 24.49 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.313 -1.366 . . . . 50.0 107.313 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 m -108.77 134.54 51.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.394 -0.821 . . . . 25.0 109.249 173.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.3 t -122.58 122.45 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.946 0 N-CA-C 108.232 -1.025 . . . . 50.0 108.232 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.06 119.01 38.22 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.6 m -105.7 127.14 52.89 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 120.052 -1.655 . . . . 25.0 107.261 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.8 t -117.19 138.33 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.927 0.767 . . . . 50.0 112.028 -173.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -123.0 152.4 40.93 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.572 -1.27 . . . . 50.0 107.572 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.82 -31.21 71.43 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.29 25.94 1.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.622 . . . . 50.0 109.348 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 114' ' ' GLU . 50.9 mt 57.86 24.87 11.36 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.54 23.55 0.4 Allowed 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.052 0.941 . . . . 25.0 108.586 176.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 112' ' ' LEU . 10.8 pt-20 -71.56 155.12 40.91 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 126.132 1.773 . . . . 50.0 112.92 -171.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.91 140.73 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 106.061 -1.829 . . . . 50.0 106.061 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -124.28 147.77 47.87 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -155.26 175.19 14.17 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.47 -1.307 . . . . 50.0 107.47 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 m -120.99 147.55 45.34 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.716 1.376 . . . . 50.0 114.716 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.3 mt -124.08 148.43 47.11 Favored 'General case' 0 CA--C 1.472 -2.024 0 N-CA-C 109.309 -0.626 . . . . 50.0 109.309 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -98.48 130.88 45.08 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 106.256 -1.757 . . . . 50.0 106.256 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.98 161.52 35.65 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-O 121.742 0.782 . . . . 50.0 112.412 174.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -83.36 161.41 21.39 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.23 -1.026 . . . . 50.0 108.23 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.41 -32.79 74.56 Favored 'General case' 0 C--O 1.199 -1.56 0 O-C-N 121.543 -0.723 . . . . 25.0 111.243 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.36 17.82 10.7 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.645 0.778 . . . . 50.0 112.659 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -75.45 134.5 40.84 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 120.147 -0.621 . . . . 50.0 110.175 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -75.91 156.32 34.37 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.446 1.593 . . . . 50.0 111.695 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.46 -28.99 67.53 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.404 ' HB2' HD21 ' A' ' 157' ' ' ASN . 80.0 t60 -64.34 -47.67 78.49 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.687 1.867 . . . . 50.0 111.564 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -70.45 -37.34 74.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.584 -1.189 . . . . 50.0 107.812 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.29 -49.61 76.94 Favored 'General case' 0 C--O 1.203 -1.369 0 N-CA-C 114.34 1.237 . . . . 50.0 114.34 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -62.75 -28.89 70.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.687 -1.149 . . . . 50.0 111.873 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.14 74.66 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -66.7 -40.39 88.45 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 114.935 -1.03 . . . . 50.0 112.841 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.0 p -74.29 -27.31 60.67 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 120.304 -1.497 . . . . 50.0 111.424 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.48 -43.16 86.16 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.18 -46.6 88.22 Favored 'General case' 0 CA--C 1.482 -1.672 0 C-N-CA 123.761 0.824 . . . . 50.0 111.317 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.98 -39.76 87.26 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.27 0.557 . . . . 50.0 112.428 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.5 t -88.42 -18.71 27.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.14 32.32 58.54 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 116.426 1.33 . . . . 25.0 116.426 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.0 pt -104.66 153.97 38.84 Favored Pre-proline 0 N--CA 1.492 1.64 0 N-CA-C 116.717 2.118 . . . . 50.0 116.717 -170.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.93 122.5 9.62 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 115.928 -2.248 . . . . 50.0 110.093 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.19 -26.59 68.43 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.771 -0.58 . . . . 25.0 112.111 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.44 52.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -101.2 18.49 19.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.762 1.289 . . . . 50.0 111.275 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 m -137.95 160.41 39.39 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-O 123.598 1.666 . . . . 50.0 112.901 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -132.8 153.34 51.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 126.346 1.858 . . . . 50.0 106.36 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -128.93 133.63 65.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 O-C-N 121.566 -0.709 . . . . 25.0 110.039 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.6 t -135.96 140.09 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.166 0.986 . . . . 50.0 110.556 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.49 141.96 41.51 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.62 37.91 21.15 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.575 1.179 . . . . 25.0 110.991 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.14 5.11 2.85 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 114.968 1.47 . . . . 50.0 114.968 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -112.37 142.77 27.58 Favored Pre-proline 0 C--O 1.255 1.345 0 O-C-N 121.068 -1.02 . . . . 25.0 109.42 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.47 144.7 56.45 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.452 0.768 . . . . 50.0 112.53 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.09 94.97 7.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.464 -0.789 . . . . 50.0 110.663 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.7 p -110.96 -30.79 7.37 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 116.879 2.178 . . . . 25.0 116.879 -172.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.03 88.16 5.39 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.404 HD21 ' HB2' ' A' ' 128' ' ' HIS . 5.4 p-10 -66.8 -16.47 64.29 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 116.102 1.89 . . . . 25.0 116.102 -172.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -83.47 -18.42 38.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.256 1.503 . . . . 50.0 114.892 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -74.01 148.18 42.26 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.029 -1.441 . . . . 50.0 111.016 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 51.1 m -77.75 151.04 34.28 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 113.799 -1.546 . . . . 50.0 109.083 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.97 -34.91 79.19 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.795 0.807 . . . . 50.0 111.617 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.02 -27.06 65.09 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.736 -1.12 . . . . 25.0 110.204 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -16.42 60.31 Favored 'General case' 0 CA--C 1.553 1.095 0 O-C-N 121.455 -0.778 . . . . 50.0 111.547 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.47 -2.01 57.91 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.712 -0.618 . . . . 50.0 109.904 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 71.26 22.39 78.54 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 110.141 -1.184 . . . . 25.0 110.141 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.05 92.13 0.93 Allowed 'General case' 0 C--O 1.248 1.023 0 N-CA-C 108.39 -0.967 . . . . 50.0 108.39 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -99.03 168.62 9.97 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.112 1.507 . . . . 50.0 111.183 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.82 119.57 4.76 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.478 -0.783 . . . . 50.0 112.477 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 105.83 -5.81 40.24 Favored Glycine 0 C--O 1.207 -1.592 0 CA-C-N 115.956 -0.566 . . . . 25.0 113.676 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -74.41 150.44 39.99 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 125.405 2.526 . . . . 50.0 111.256 173.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.3 128.05 72.65 Favored 'Isoleucine or valine' 0 C--O 1.256 1.435 0 CA-C-N 113.0 -1.909 . . . . 50.0 108.643 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.7 t -111.21 130.36 64.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 106.065 -1.828 . . . . 50.0 106.065 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.23 129.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 122.102 0.954 . . . . 50.0 108.61 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.23 136.84 52.78 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 105.558 -2.016 . . . . 50.0 105.558 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -119.42 108.97 15.21 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.827 0.822 . . . . 50.0 109.203 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 122.233 1.016 . . . . 50.0 109.375 177.659 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 124.687 2.184 . . . . 25.0 112.686 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.26 168.58 41.35 Favored Glycine 0 C--N 1.333 0.417 0 CA-C-N 113.514 -1.675 . . . . 25.0 110.333 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.09 137.89 31.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.975 0.388 . . . . 25.0 110.209 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -70.82 140.51 51.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -81.68 172.39 13.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.652 -0.249 . . . . 25.0 110.756 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -138.33 147.36 43.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -74.83 173.57 10.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.972 0.415 . . . . 25.0 111.152 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -117.91 142.57 47.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.463 -1.68 . . . . 25.0 106.463 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -75.38 162.07 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.842 0.353 . . . . 25.0 110.428 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -68.51 -44.06 75.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.486 1.291 . . . . 25.0 114.486 -173.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 m80 53.52 22.41 2.94 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -66.08 -27.73 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.304 0.854 . . . . 25.0 113.304 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m 61.67 -178.09 0.12 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.7 m -156.31 167.11 31.45 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.23 -173.14 39.37 Favored Glycine 0 C--O 1.228 -0.251 0 N-CA-C 109.638 -1.385 . . . . 25.0 109.638 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -146.3 159.48 43.3 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.229 -1.397 . . . . 25.0 107.229 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.1 pt -121.82 -1.58 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.19 0.811 . . . . 25.0 113.19 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 53.14 -145.37 0.59 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.057 0.543 . . . . 25.0 111.379 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.97 -176.57 17.62 Favored Glycine 0 C--O 1.222 -0.618 0 C-N-CA 121.61 -0.329 . . . . 25.0 112.287 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -84.99 42.78 0.95 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -110.17 160.31 16.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.352 -1.722 . . . . 25.0 106.352 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.9 167.31 30.14 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.271 0.357 . . . . 50.0 110.092 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.0 tp -109.01 133.12 53.41 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.225 0.61 . . . . 50.0 109.637 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.8 mt -122.93 146.08 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.752 -1.203 . . . . 50.0 107.752 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.2 m -104.88 135.49 46.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.226 -1.028 . . . . 25.0 108.226 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.0 129.17 73.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.422 -0.585 . . . . 50.0 109.422 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.23 122.26 46.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.42 116.61 32.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.16 116.66 45.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 50.0 110.662 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -92.73 146.3 23.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.566 -1.642 . . . . 50.0 106.566 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -61.68 -29.6 70.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.497 0.665 . . . . 25.0 110.345 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.31 13.75 4.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.787 -1.097 . . . . 50.0 113.167 -176.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.0 mt 58.66 27.89 16.45 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 122.293 1.044 . . . . 25.0 112.141 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 m -90.33 25.71 2.15 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.575 -1.193 . . . . 25.0 109.728 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.39 155.54 40.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.067 -0.969 . . . . 50.0 112.919 -166.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.43 157.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 107.554 -1.276 . . . . 50.0 107.554 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -140.3 150.17 43.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 174.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -157.85 174.42 15.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.936 -1.876 . . . . 50.0 105.936 -176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.49 149.0 52.36 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.138 -1.06 . . . . 50.0 108.138 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.93 147.15 49.57 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.851 -0.425 . . . . 50.0 109.851 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -104.75 124.45 49.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.343 -1.355 . . . . 50.0 107.343 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.9 m -143.0 165.39 15.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.947 -0.569 . . . . 50.0 109.778 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -79.26 152.69 30.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.827 -1.546 . . . . 50.0 106.827 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.0 74.17 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.709 0.766 . . . . 25.0 109.836 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -93.08 9.93 33.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 50.0 112.385 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.39 137.92 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 50.0 109.244 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.59 144.14 55.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.36 -0.213 . . . . 50.0 111.279 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.5 -32.49 73.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.114 -1.069 . . . . 50.0 108.114 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -54.95 -48.27 73.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 50.0 111.56 175.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -77.9 -31.01 50.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.803 0.335 . . . . 50.0 111.035 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.83 -0.544 . . . . 50.0 111.59 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -66.6 -27.98 68.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.098 -0.641 . . . . 50.0 110.135 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.06 -38.8 69.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 110.182 -0.303 . . . . 25.0 110.182 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.58 -41.0 96.55 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.138 -0.69 . . . . 50.0 109.138 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.102 -0.499 . . . . 50.0 110.758 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.87 -44.62 96.44 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.835 0.454 . . . . 25.0 109.874 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.65 -47.28 76.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.571 0.582 . . . . 50.0 112.571 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -71.29 -35.82 71.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 50.0 111.63 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.2 t -82.12 -29.79 31.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.348 . . . . 25.0 111.889 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.11 83.84 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.728 -0.749 . . . . 25.0 113.582 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 29.4 pt -124.05 140.24 34.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.626 -0.879 . . . . 50.0 108.626 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -63.37 134.01 43.02 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 116.942 -1.572 . . . . 50.0 115.324 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.91 68.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.44 -24.69 66.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.868 -0.605 . . . . 25.0 112.436 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.3 10.25 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.901 0.382 . . . . 50.0 111.161 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.0 p -142.56 173.49 11.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.152 0.501 . . . . 50.0 111.797 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -127.47 135.9 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.842 -0.429 . . . . 50.0 109.842 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -102.07 132.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.1 t -135.96 136.18 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.118 0.567 . . . . 50.0 111.241 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -143.86 143.44 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.02 -1.474 . . . . 50.0 107.02 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.58 42.09 29.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.202 0.601 . . . . 25.0 111.212 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 59.31 16.95 5.4 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.682 1.364 . . . . 50.0 114.682 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -126.49 136.96 29.42 Favored Pre-proline 0 N--CA 1.467 0.416 0 O-C-N 121.835 -0.541 . . . . 25.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.22 146.27 45.53 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 115.532 -2.512 . . . . 50.0 111.473 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 72.8 mt -93.1 81.91 4.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.64 -0.874 . . . . 50.0 108.64 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.3 p -97.87 -19.76 17.92 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.75 1.018 . . . . 25.0 113.75 -173.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -85.57 97.32 10.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -73.83 -18.41 60.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -81.51 -13.46 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 50.0 111.456 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -75.47 146.59 40.52 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 120.897 0.379 . . . . 50.0 110.71 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -81.71 165.36 21.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.035 -1.469 . . . . 50.0 107.035 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.19 -36.37 83.85 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.001 -0.437 . . . . 50.0 110.718 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.12 69.66 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.129 -0.357 . . . . 25.0 111.403 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.1 m -71.27 -16.55 62.48 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.079 0.4 . . . . 50.0 112.079 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -97.46 -10.46 25.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.736 0.303 . . . . 50.0 110.316 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.34 20.41 60.49 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 111.247 -0.741 . . . . 25.0 111.247 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.34 83.81 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.228 -0.656 . . . . 50.0 109.228 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.29 167.44 18.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.923 -1.035 . . . . 50.0 111.994 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.1 128.11 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.624 -0.717 . . . . 50.0 110.664 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.69 -10.73 68.63 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.577 -0.738 . . . . 25.0 114.364 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.26 149.53 50.2 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 118.312 1.056 . . . . 50.0 111.206 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.3 t -112.68 126.86 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.171 -0.922 . . . . 50.0 110.338 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.52 139.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.839 -1.171 . . . . 50.0 107.839 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.5 mt -118.08 118.42 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.37 0.605 . . . . 50.0 109.702 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 4.9 tt -101.93 138.33 39.04 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.61 -1.626 . . . . 50.0 106.61 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -126.95 122.37 34.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.065 -0.397 . . . . 50.0 110.981 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 124.267 1.984 . . . . 50.0 110.593 176.47 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 122.611 1.196 . . . . 25.0 113.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 150.93 171.98 19.57 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 110.517 -1.033 . . . . 25.0 110.517 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -154.42 157.26 38.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -149.73 170.18 19.31 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -140.1 110.87 6.82 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -122.83 108.67 13.27 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -140.26 118.01 11.67 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -152.38 143.0 22.79 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -137.97 -68.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 175.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 63.16 173.09 0.16 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.292 1.037 . . . . 25.0 111.202 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -136.61 -72.58 0.44 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.519 ' CG ' ' H ' ' A' ' 92' ' ' SER . 7.6 t-80 58.49 -165.2 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.252 0.621 . . . . 25.0 109.518 -175.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.519 ' H ' ' CG ' ' A' ' 91' ' ' HIS . 15.1 m 49.06 37.64 11.04 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 176.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.0 m -76.63 123.49 26.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.102 0.779 . . . . 25.0 113.102 -173.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.25 169.5 39.16 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 106.802 -2.519 . . . . 25.0 106.802 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -132.47 -6.11 3.31 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 117.913 0.857 . . . . 25.0 111.899 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.1 mt 55.01 50.42 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 122.442 1.115 . . . . 25.0 108.991 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.54 141.54 55.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.77 -1.105 . . . . 25.0 110.63 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.81 -169.74 28.58 Favored Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 109.266 -1.534 . . . . 25.0 109.266 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -146.69 105.91 3.9 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -136.87 167.73 20.91 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -123.24 163.84 19.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.864 -1.161 . . . . 50.0 107.864 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.4 tp -124.46 127.21 47.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.262 -1.755 . . . . 50.0 106.262 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.7 mt -120.77 143.44 48.81 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -97.72 143.54 28.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.672 -1.233 . . . . 25.0 107.672 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.12 125.64 69.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 106.882 -1.525 . . . . 50.0 106.882 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -112.15 108.17 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -100.29 117.52 34.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.246 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.0 t -106.02 131.33 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.907 0.384 . . . . 50.0 110.22 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -120.02 146.53 45.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 106.06 -1.829 . . . . 50.0 106.06 174.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -62.84 -23.32 67.23 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -92.25 30.22 1.51 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.056 0.455 . . . . 50.0 112.018 -176.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt 54.28 25.2 5.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.214 1.006 . . . . 25.0 112.286 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 m -92.02 25.49 2.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.094 -0.957 . . . . 25.0 109.724 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.32 154.69 40.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 50.0 111.883 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.8 p -152.6 155.62 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 106.983 -1.488 . . . . 50.0 106.983 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.5 t -137.0 147.37 46.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -155.53 175.67 13.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.758 -1.571 . . . . 50.0 106.758 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.2 m -129.42 148.81 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.793 -0.447 . . . . 50.0 109.793 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.45 148.6 49.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.143 -0.48 . . . . 50.0 109.915 -177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -99.29 129.4 45.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.527 -1.286 . . . . 50.0 107.527 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.67 166.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.961 -0.563 . . . . 50.0 110.367 -173.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.77 166.72 14.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.337 -0.616 . . . . 50.0 109.337 174.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.95 94.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.136 -0.353 . . . . 25.0 111.204 176.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -101.65 19.51 17.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.838 0.828 . . . . 50.0 111.657 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -59.97 128.55 37.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.632 -0.713 . . . . 50.0 109.648 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.43 142.37 57.6 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.563 -0.162 . . . . 50.0 110.563 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.07 -29.64 70.54 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.912 -0.315 . . . . 50.0 110.198 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.406 ' HB2' HD21 ' A' ' 157' ' ' ASN . 80.5 t60 -59.39 -41.67 89.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.078 0.466 . . . . 50.0 110.303 175.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -75.8 -40.18 55.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.264 0.554 . . . . 50.0 109.854 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.9 -47.07 88.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.285 0.476 . . . . 50.0 112.285 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -67.14 -27.9 67.69 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.324 -0.55 . . . . 50.0 111.145 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -39.89 70.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.92 -39.45 94.6 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.636 -0.505 . . . . 50.0 109.636 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.1 m -62.82 -42.8 99.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.881 -0.327 . . . . 50.0 110.392 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.74 -41.69 98.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.735 0.302 . . . . 25.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.87 -46.1 90.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 50.0 111.745 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.63 -33.4 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.387 0.613 . . . . 50.0 111.123 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.5 m -81.86 -26.88 33.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.885 1.069 . . . . 25.0 113.885 -177.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.98 31.98 81.18 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.419 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.08 148.47 42.4 Favored Pre-proline 0 C--O 1.219 -0.535 0 O-C-N 122.401 -0.47 . . . . 50.0 110.463 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.31 125.99 11.86 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 116.455 -1.897 . . . . 50.0 112.555 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.01 -24.57 67.12 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.862 -0.524 . . . . 25.0 111.565 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.7 -25.31 66.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.727 0.299 . . . . 25.0 111.678 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -106.16 13.77 28.53 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 122.616 0.366 . . . . 50.0 110.917 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -137.74 153.75 49.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.798 1.777 . . . . 50.0 115.798 -170.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -131.87 154.39 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.082 -1.081 . . . . 50.0 108.082 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -128.03 137.98 55.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.63 146.28 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.798 -0.637 . . . . 50.0 109.602 -171.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.052 -1.092 . . . . 50.0 108.052 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.31 42.13 25.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.061 0.458 . . . . 25.0 110.836 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 60.82 10.65 2.81 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.929 1.455 . . . . 50.0 114.929 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -113.46 134.19 22.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.01 150.66 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.402 -2.599 . . . . 50.0 112.053 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.14 54.28 2.75 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.346 -0.983 . . . . 50.0 108.346 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -22.2 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.821 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.25 76.76 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.296 -1.372 . . . . 25.0 107.296 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.406 HD21 ' HB2' ' A' ' 128' ' ' HIS . 4.4 p-10 -70.1 -9.42 55.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 -175.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -98.33 32.29 2.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.006 0.907 . . . . 50.0 110.068 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -129.38 152.83 48.51 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.109 -1.812 . . . . 50.0 106.109 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.2 p -84.97 167.58 15.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.113 0.482 . . . . 50.0 110.083 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.16 -34.65 75.38 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.465 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.62 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.299 -0.409 . . . . 25.0 111.217 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 31.8 t -71.09 -17.27 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.673 0.62 . . . . 50.0 112.673 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -99.75 -6.77 26.48 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.017 -0.364 . . . . 50.0 110.017 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.71 25.49 69.68 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 110.155 -1.178 . . . . 25.0 110.155 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.51 81.19 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.758 0.79 . . . . 50.0 109.361 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -76.5 160.39 29.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.408 -1.269 . . . . 50.0 112.251 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.75 121.98 9.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.032 -0.985 . . . . 50.0 108.91 171.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.24 -20.59 28.03 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.811 -0.631 . . . . 25.0 113.952 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.07 160.69 32.43 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 117.872 0.836 . . . . 50.0 111.645 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -128.1 138.6 54.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.406 -0.815 . . . . 50.0 110.173 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.5 m -112.14 159.2 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.757 -1.201 . . . . 50.0 107.757 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -120.59 129.24 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.433 -0.951 . . . . 50.0 108.433 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.5 tt -115.92 134.43 54.99 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 105.996 -1.853 . . . . 50.0 105.996 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.01 117.38 22.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.832 0.348 . . . . 50.0 110.719 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 123.966 1.841 . . . . 50.0 111.266 179.186 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 122.922 1.344 . . . . 25.0 113.531 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.83 172.41 44.26 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 108.301 -1.919 . . . . 25.0 108.301 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -152.95 164.36 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -139.57 173.12 11.87 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -147.82 154.65 40.73 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 104.829 -2.286 . . . . 25.0 104.829 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -137.7 171.12 14.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 -175.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -123.83 151.59 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -152.05 152.42 32.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -66.34 145.07 56.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -73.78 110.55 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.914 0.388 . . . . 25.0 110.757 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -72.27 133.22 44.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -153.07 176.89 11.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.024 -1.472 . . . . 25.0 107.024 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.5 t -144.79 158.44 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.149 -1.426 . . . . 25.0 107.149 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m -71.04 154.59 41.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.751 -0.462 . . . . 25.0 109.751 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -103.76 167.23 16.18 Favored Glycine 0 C--O 1.229 -0.185 0 N-CA-C 108.655 -1.778 . . . . 25.0 108.655 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -149.83 146.46 27.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.9 pt -132.76 159.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 105.558 -2.016 . . . . 25.0 105.558 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -142.44 159.79 41.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.13 175.54 44.1 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 106.165 -2.774 . . . . 25.0 106.165 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -131.23 141.21 49.99 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 118.479 1.139 . . . . 25.0 110.956 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -152.96 173.88 14.84 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 100.483 -3.895 . . . . 25.0 100.483 170.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -121.23 140.36 52.15 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.174 -1.788 . . . . 50.0 106.174 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.9 122.08 46.08 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.668 -1.234 . . . . 50.0 107.668 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 mt -124.72 150.42 46.21 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.917 -0.401 . . . . 50.0 109.917 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -101.73 142.76 32.57 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.07 121.24 60.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 107.352 -1.351 . . . . 50.0 107.352 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -100.61 112.85 25.3 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.7 t -98.79 116.58 31.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.81 0.338 . . . . 25.0 110.334 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -93.91 112.53 26.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-O 121.36 0.6 . . . . 50.0 109.925 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -93.72 139.7 30.52 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.917 -1.512 . . . . 50.0 106.917 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.17 -28.47 69.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.167 0.508 . . . . 25.0 112.245 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.84 18.32 2.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.638 -0.71 . . . . 50.0 112.501 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.0 mt 58.48 27.0 14.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.513 1.125 . . . . 25.0 111.597 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.1 m -91.82 25.9 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.431 -1.259 . . . . 25.0 109.055 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.18 149.28 44.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.242 -0.89 . . . . 50.0 111.563 -169.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.87 161.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.119 -1.067 . . . . 50.0 108.119 -166.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.3 t -128.97 145.79 51.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -152.67 171.85 17.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.402 -1.703 . . . . 50.0 106.402 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -129.21 150.38 50.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.324 0.511 . . . . 50.0 110.941 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.4 mt -133.73 149.8 51.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 50.0 111.229 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -102.36 129.05 48.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.795 -1.187 . . . . 50.0 107.795 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.49 164.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.358 -0.608 . . . . 50.0 109.358 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -84.15 166.67 17.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.559 -0.904 . . . . 50.0 108.559 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.21 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.014 -0.429 . . . . 25.0 110.918 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -96.63 13.24 28.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.479 0.657 . . . . 50.0 111.116 -175.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.52 132.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 50.0 109.395 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.0 152.08 37.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.481 0.181 . . . . 50.0 111.28 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.3 -27.82 68.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.369 -0.604 . . . . 50.0 109.369 170.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.52 -41.75 86.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 50.0 110.387 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -81.16 -34.01 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.323 -0.399 . . . . 50.0 111.439 177.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.64 -42.07 99.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.933 0.716 . . . . 50.0 112.933 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -61.83 -33.89 74.97 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 120.598 -0.441 . . . . 50.0 110.957 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.85 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.353 0.597 . . . . 25.0 109.509 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.1 -41.31 99.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.961 -0.563 . . . . 50.0 110.682 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 22.2 p -77.17 -25.19 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.825 -0.547 . . . . 50.0 111.869 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.53 -39.61 91.97 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.12 -45.41 92.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.319 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.09 -42.59 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.155 0.502 . . . . 50.0 111.864 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.6 t -85.27 -15.93 41.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.58 25.73 71.6 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 121.166 -0.54 . . . . 25.0 114.228 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 4.0 pt -137.22 141.92 36.0 Favored Pre-proline 0 N--CA 1.469 0.496 0 N-CA-C 109.068 -0.715 . . . . 50.0 109.068 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.98 140.26 65.28 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 116.29 -2.007 . . . . 50.0 114.203 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -25.98 68.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.844 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.08 62.91 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.969 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.15 17.26 17.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.311 0.577 . . . . 50.0 110.383 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -146.16 177.38 9.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.794 -0.447 . . . . 50.0 109.794 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -134.39 158.0 44.96 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.037 -1.097 . . . . 50.0 108.037 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -125.69 138.25 55.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.15 140.03 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.787 -1.19 . . . . 50.0 107.787 -177.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -141.78 134.43 28.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.424 -1.324 . . . . 50.0 107.424 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 40.65 27.25 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.004 0.522 . . . . 25.0 109.973 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 59.61 7.0 0.92 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.43 1.641 . . . . 50.0 115.43 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -105.57 132.88 20.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 121.679 -0.638 . . . . 25.0 109.874 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.67 149.95 61.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 115.95 -2.233 . . . . 50.0 110.722 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.55 114.48 28.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.284 -0.636 . . . . 50.0 109.284 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.3 p -114.98 -33.82 5.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -83.49 72.66 10.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.932 0.873 . . . . 25.0 109.238 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -66.7 -13.44 61.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.128 -0.942 . . . . 25.0 113.53 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -72.19 -15.82 61.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.564 0.697 . . . . 50.0 110.728 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.21 148.72 24.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.419 -0.801 . . . . 50.0 110.201 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.5 p -75.6 160.98 29.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.725 . . . . 50.0 109.423 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.95 -29.89 70.37 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.11 0.481 . . . . 50.0 111.186 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.38 70.32 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.093 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.3 t -69.8 -16.48 63.29 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.011 0.375 . . . . 50.0 112.011 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -101.66 -4.86 25.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.881 -0.414 . . . . 50.0 109.881 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.98 66.49 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.964 -0.855 . . . . 25.0 110.964 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.41 79.2 2.46 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.682 0.754 . . . . 50.0 110.293 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.79 157.7 36.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.849 -1.069 . . . . 50.0 112.341 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.29 130.33 44.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.975 -1.011 . . . . 50.0 108.759 171.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.88 -17.39 49.17 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.349 -0.842 . . . . 25.0 113.27 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -79.75 169.6 17.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 117.91 0.855 . . . . 50.0 112.012 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.6 p -133.93 142.21 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 120.958 0.408 . . . . 50.0 111.595 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.84 160.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 107.465 -1.309 . . . . 50.0 107.465 175.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 86.9 mt -122.08 125.29 72.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.307 -0.997 . . . . 50.0 108.307 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -106.79 132.44 52.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 106.257 -1.756 . . . . 50.0 106.257 176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -118.22 113.01 20.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.177 0.513 . . . . 50.0 109.996 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 123.782 1.753 . . . . 50.0 111.894 179.054 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 123.357 1.551 . . . . 25.0 114.686 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.34 22.89 61.82 Favored Glycine 0 C--N 1.346 1.122 0 O-C-N 120.58 -1.325 . . . . 25.0 113.817 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -71.83 4.9 2.9 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.991 1.849 . . . . 25.0 115.991 -174.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -120.47 132.61 55.29 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.789 -0.57 . . . . 25.0 110.908 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -100.72 83.36 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.53 -0.759 . . . . 25.0 112.132 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.0 m80 64.17 -179.86 0.17 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.409 1.084 . . . . 25.0 113.637 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -124.25 4.77 8.48 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.589 -0.732 . . . . 25.0 110.434 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -138.65 159.89 40.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -68.6 135.83 52.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -139.68 142.67 36.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -81.6 147.05 29.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -70.05 145.49 51.66 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.199 -0.296 . . . . 25.0 110.199 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 m -64.37 157.04 27.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.884 0.373 . . . . 25.0 111.523 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.7 t -151.33 164.29 37.0 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.002 -1.851 . . . . 25.0 106.002 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.18 58.08 0.59 Allowed Glycine 0 C--O 1.225 -0.436 0 N-CA-C 111.786 -0.525 . . . . 25.0 111.786 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -95.6 122.68 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.8 pt -131.21 158.19 43.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' CD ' ' HD1' ' A' ' 100' ' ' HIS . 46.5 tt0 -148.32 -64.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.379 0.609 . . . . 25.0 110.877 -176.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.44 -149.11 19.18 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 107.369 -2.292 . . . . 25.0 107.369 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -89.21 140.05 29.86 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 105.266 -2.124 . . . . 25.0 105.266 173.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.423 ' HD1' ' CD ' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -158.03 166.92 31.31 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.567 -2.012 . . . . 25.0 105.567 175.504 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -120.76 166.96 13.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 123.125 0.57 . . . . 50.0 111.443 -172.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.3 tp -117.86 131.79 56.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.266 -1.013 . . . . 50.0 108.266 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.0 mt -123.66 156.98 34.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.902 -1.147 . . . . 50.0 107.902 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.0 m -111.15 138.78 47.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.67 127.62 72.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.262 -1.014 . . . . 50.0 108.262 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -110.11 114.14 27.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.91 121.37 41.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.82 131.74 54.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.104 0.478 . . . . 50.0 110.861 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -123.12 143.7 49.82 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.388 -0.967 . . . . 50.0 108.388 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -65.48 -23.41 66.9 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.957 0.355 . . . . 25.0 111.957 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -88.54 25.66 1.65 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.161 0.505 . . . . 50.0 110.988 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt 52.42 29.79 7.4 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.444 1.098 . . . . 25.0 113.431 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.12 21.31 5.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.405 -0.816 . . . . 25.0 110.158 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -72.47 148.0 45.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.556 -0.747 . . . . 50.0 111.321 -170.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -155.05 160.48 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.18 -1.415 . . . . 50.0 107.18 -171.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -133.45 147.77 51.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -152.35 171.1 18.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.101 -1.814 . . . . 50.0 106.101 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.5 p -123.55 145.63 48.73 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.766 -0.457 . . . . 50.0 109.766 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.5 mt -121.84 144.64 48.71 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.917 -0.771 . . . . 50.0 108.917 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -113.62 118.67 35.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.577 -1.268 . . . . 50.0 107.577 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -144.52 163.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.581 -0.896 . . . . 50.0 108.581 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -79.56 166.68 21.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.714 -0.476 . . . . 50.0 109.714 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.32 94.14 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.65 0.262 . . . . 25.0 110.627 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -90.79 11.97 20.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.515 0.674 . . . . 50.0 112.724 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.84 130.71 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.346 -0.983 . . . . 50.0 108.346 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.27 148.98 46.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.95 0.405 . . . . 50.0 111.483 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 157' ' ' ASN . 0.2 OUTLIER -60.91 -35.62 77.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 50.0 109.967 175.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -35.74 76.15 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 121.031 -0.268 . . . . 50.0 110.597 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.84 -38.02 23.6 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.506 0.669 . . . . 50.0 109.991 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.54 -46.1 91.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.994 -0.441 . . . . 50.0 112.003 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -27.92 68.42 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.298 -0.561 . . . . 50.0 110.481 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.88 71.43 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.24 -41.0 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 50.0 110.368 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 12.0 p -73.17 -25.36 60.77 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.185 -0.606 . . . . 50.0 111.183 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.84 -40.59 91.89 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.882 -0.785 . . . . 25.0 108.882 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.92 -45.91 90.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 50.0 111.507 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -35.66 76.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.162 0.506 . . . . 50.0 111.531 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 45.0 m -79.94 -23.86 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.67 22.63 73.61 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.765 0.666 . . . . 25.0 114.765 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 33.9 pt -135.4 150.4 72.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 117.088 0.444 . . . . 50.0 110.582 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.0 127.02 16.11 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.499 -1.868 . . . . 50.0 113.358 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.32 -24.67 66.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.353 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.34 70.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -105.64 16.61 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.242 1.02 . . . . 50.0 109.294 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -126.61 178.03 6.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.992 -1.004 . . . . 50.0 109.076 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -134.32 147.31 50.55 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.815 -1.179 . . . . 50.0 107.815 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.24 134.12 67.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.0 -1.481 . . . . 25.0 107.0 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 63.3 t -136.15 137.75 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 123.381 0.673 . . . . 50.0 110.569 -170.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -141.11 141.03 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.172 -1.418 . . . . 50.0 107.172 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.91 44.45 25.31 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.834 0.454 . . . . 25.0 111.396 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.41 16.24 4.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.962 1.467 . . . . 50.0 114.962 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -123.84 141.27 36.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.2 145.87 50.03 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 115.099 -2.8 . . . . 50.0 111.129 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 21.6 mt -92.02 91.19 7.72 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.134 -1.062 . . . . 50.0 108.134 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -110.47 -34.52 6.3 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.233 1.938 . . . . 25.0 116.233 -172.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -80.82 89.97 5.85 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 2.3 p-10 -68.89 -12.0 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 -171.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -76.95 -8.08 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.786 0.679 . . . . 50.0 112.309 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.35 150.66 22.46 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 110.008 -0.368 . . . . 50.0 110.008 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.0 p -82.31 164.48 21.09 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.699 -1.223 . . . . 50.0 107.699 169.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.71 -34.31 77.91 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 122.012 -0.43 . . . . 50.0 111.58 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.9 -30.16 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 25.0 111.046 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.2 m -70.2 -16.46 63.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.931 0.345 . . . . 50.0 111.931 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -100.25 -10.41 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 109.937 -0.394 . . . . 50.0 109.937 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 89.45 20.15 46.12 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-O 119.647 -0.529 . . . . 25.0 113.926 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.5 87.75 0.32 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 117.889 0.845 . . . . 50.0 110.552 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.72 162.02 25.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.138 0.494 . . . . 50.0 110.569 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -57.98 131.06 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.543 0.687 . . . . 50.0 109.69 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.67 -11.37 66.53 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 115.192 -0.913 . . . . 25.0 114.406 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.96 153.69 39.79 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 118.608 1.204 . . . . 50.0 111.916 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.9 t -115.44 129.29 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 50.0 111.003 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.73 142.53 21.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.117 -1.438 . . . . 50.0 107.117 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.7 mt -116.65 123.8 72.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.416 0.627 . . . . 50.0 109.372 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.85 135.97 44.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.609 -1.997 . . . . 50.0 105.609 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 39.0 mtp-105 -135.77 106.52 6.57 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.837 -0.539 . . . . 50.0 112.046 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 124.977 2.322 . . . . 50.0 111.181 177.612 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 122.717 1.246 . . . . 25.0 113.663 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.62 150.07 32.54 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 109.946 -1.262 . . . . 25.0 109.946 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -99.42 148.01 24.66 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -67.6 134.12 50.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.344 0.592 . . . . 25.0 111.38 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -91.84 116.83 29.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.851 -0.613 . . . . 25.0 109.549 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.86 166.28 34.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.467 0.543 . . . . 25.0 112.467 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 53.92 37.79 27.37 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.273 1.212 . . . . 25.0 114.273 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -67.69 -43.07 81.0 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.656 -0.653 . . . . 25.0 112.382 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -159.67 159.36 32.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -141.54 17.08 2.19 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -63.59 -51.58 64.72 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.327 1.232 . . . . 25.0 114.327 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -155.74 149.06 24.73 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -152.78 152.09 31.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.4 t 52.54 -140.79 0.89 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.376 0.67 . . . . 25.0 111.728 178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.77 -3.42 5.7 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 111.696 -0.562 . . . . 25.0 111.696 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -72.25 115.81 11.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.413 -0.463 . . . . 25.0 110.45 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.0 pt -123.83 9.55 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 112.659 0.614 . . . . 25.0 112.659 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -73.88 157.46 36.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.99 46.97 0.02 OUTLIER Glycine 0 C--O 1.227 -0.286 0 N-CA-C 115.478 0.951 . . . . 25.0 115.478 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -71.25 138.4 49.4 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.036 0.918 . . . . 25.0 110.0 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -164.09 174.74 10.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -145.94 163.89 33.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.756 -1.202 . . . . 50.0 107.756 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.4 tp -112.45 133.25 54.63 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 122.317 0.247 . . . . 50.0 110.58 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -125.03 155.84 39.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.188 -1.042 . . . . 50.0 108.188 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -108.75 135.32 50.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.77 127.79 72.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.311 -0.625 . . . . 50.0 109.311 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -113.59 112.38 23.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.027 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -96.7 131.23 43.59 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.4 t -124.66 131.54 72.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 120.807 0.337 . . . . 50.0 111.194 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.72 147.53 45.79 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 107.732 -1.21 . . . . 50.0 107.732 173.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -65.17 -16.98 64.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.134 0.492 . . . . 25.0 111.526 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.78 15.77 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.811 -1.086 . . . . 50.0 111.661 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt 57.88 24.83 11.34 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.116 1.154 . . . . 25.0 114.116 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.95 25.84 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.801 0.81 . . . . 25.0 109.2 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -72.2 145.82 47.76 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.845 -1.071 . . . . 50.0 109.905 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.4 p -152.78 144.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.247 -1.02 . . . . 50.0 108.247 -174.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.5 t -123.48 141.87 51.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -153.26 173.93 14.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.097 -1.816 . . . . 50.0 106.097 -175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.7 p -123.71 155.27 38.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.838 -0.801 . . . . 50.0 108.838 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -131.0 140.45 50.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.064 0.459 . . . . 50.0 109.983 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -101.32 113.63 26.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.06 -1.459 . . . . 50.0 107.06 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.59 165.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 122.556 0.342 . . . . 50.0 111.342 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -79.07 160.28 27.16 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.203 -1.036 . . . . 50.0 108.203 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.77 78.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.64 16.27 10.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.724 0.773 . . . . 50.0 112.168 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -67.85 128.05 35.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 50.0 109.861 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.02 143.22 58.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.965 -0.561 . . . . 50.0 110.804 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -29.38 70.48 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.08 0.467 . . . . 50.0 109.942 176.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -59.48 -43.19 93.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 50.0 110.73 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.58 -32.62 53.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.797 -0.564 . . . . 50.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.45 -43.26 99.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.239 0.459 . . . . 50.0 112.239 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -27.66 67.55 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.475 -0.49 . . . . 50.0 110.688 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.35 67.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 117.999 0.363 . . . . 25.0 110.074 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.11 -38.18 87.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.36 -42.82 99.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.258 -0.428 . . . . 50.0 110.341 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.36 -40.96 92.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 25.0 110.613 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.46 -46.13 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 50.0 111.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -71.65 -40.02 69.96 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.254 0.55 . . . . 50.0 112.466 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.2 p -82.58 -24.11 34.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.61 21.26 76.23 Favored Glycine 0 CA--C 1.515 0.082 0 C-N-CA 121.107 -0.568 . . . . 25.0 114.327 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.76 146.47 50.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.579 -0.526 . . . . 50.0 109.579 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -62.85 119.13 6.08 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 117.057 -1.495 . . . . 50.0 113.752 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.46 -24.32 67.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 25.0 109.989 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.18 -24.57 67.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.945 -0.57 . . . . 25.0 112.537 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.86 14.84 27.49 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 120.772 0.32 . . . . 50.0 111.409 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.0 p -133.88 165.29 25.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 115.515 1.672 . . . . 50.0 115.515 -173.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -125.17 149.99 47.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 107.0 -1.482 . . . . 50.0 107.0 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -121.62 136.15 59.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.601 -0.889 . . . . 25.0 108.601 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.97 136.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 124.028 0.931 . . . . 50.0 110.665 -168.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -141.2 143.56 34.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.361 -1.718 . . . . 50.0 106.361 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.61 45.24 27.02 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.458 0.647 . . . . 25.0 111.211 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 60.37 7.36 1.28 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.809 1.781 . . . . 50.0 115.809 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -124.38 145.89 50.29 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.479 -0.763 . . . . 25.0 111.924 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.67 148.85 53.87 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 115.182 -2.746 . . . . 50.0 112.072 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.86 122.59 33.7 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 105.211 -2.144 . . . . 50.0 105.211 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 43.1 p -113.06 -43.51 3.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -82.28 101.33 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -76.04 -10.77 59.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.627 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -90.4 32.27 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.099 0.874 . . . . 50.0 111.95 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -134.13 142.2 47.39 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.243 -1.391 . . . . 50.0 107.243 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -77.46 163.38 26.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.055 0.455 . . . . 50.0 110.702 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.18 -39.75 83.52 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 121.443 0.64 . . . . 50.0 111.197 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.98 68.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.821 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m -72.7 -18.51 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.867 0.321 . . . . 50.0 111.867 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.53 -6.84 26.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.26 20.5 56.97 Favored Glycine 0 C--O 1.226 -0.393 0 C-N-CA 121.177 -0.535 . . . . 25.0 114.093 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 90.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.809 0.804 . . . . 50.0 110.499 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -80.69 162.05 24.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 50.0 111.011 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.92 129.14 36.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.927 -0.579 . . . . 50.0 110.033 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.52 -10.1 66.87 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-O 119.302 -0.721 . . . . 25.0 114.415 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.13 153.8 42.79 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 118.418 1.109 . . . . 50.0 110.989 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.03 130.67 67.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.544 -0.753 . . . . 50.0 110.871 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.19 137.75 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.42 -1.326 . . . . 50.0 107.42 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.92 131.2 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.847 -0.797 . . . . 50.0 108.847 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.9 tt -121.08 137.75 54.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 50.0 108.655 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.04 123.91 41.94 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 122.148 -0.345 . . . . 50.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 124.395 2.045 . . . . 50.0 110.688 178.09 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 94.1 mtp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 122.157 0.98 . . . . 25.0 113.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.35 97.52 0.16 Allowed Glycine 0 C--O 1.219 -0.786 0 O-C-N 121.755 -0.591 . . . . 25.0 113.008 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -149.69 146.44 27.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -68.6 134.55 50.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.283 -0.266 . . . . 25.0 110.283 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -137.44 -24.45 1.06 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.647 0.61 . . . . 25.0 112.647 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 53.13 37.27 24.53 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.663 0.986 . . . . 25.0 113.663 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -62.69 -43.67 98.21 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 122.056 -0.403 . . . . 25.0 110.469 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.434 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 9.9 t60 55.49 -166.06 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.663 0.785 . . . . 25.0 113.074 176.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.434 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 8.6 p-80 -163.77 176.94 9.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 -177.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -117.58 -41.7 2.92 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.25 0.344 . . . . 25.0 111.365 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.3 t60 53.87 38.47 28.76 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.832 1.049 . . . . 25.0 113.832 175.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -70.06 159.47 33.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.692 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 t 81.17 161.22 0.16 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.503 1.921 . . . . 25.0 111.841 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -158.11 164.11 36.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.299 -1.741 . . . . 25.0 106.299 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.79 170.79 43.0 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 107.443 -2.263 . . . . 25.0 107.443 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -144.48 151.11 38.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.929 -1.878 . . . . 25.0 105.929 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.5 pt -129.59 158.7 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.524 -1.288 . . . . 25.0 107.524 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -104.0 -47.79 4.08 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.279 -0.638 . . . . 25.0 109.279 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.93 -171.08 40.54 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 116.025 -0.534 . . . . 25.0 113.434 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 43.98 32.03 0.58 Allowed 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 116.298 1.962 . . . . 25.0 116.298 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -119.69 165.23 14.77 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -111.86 -179.66 3.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 122.816 0.446 . . . . 50.0 110.144 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.0 tp -133.64 133.15 41.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.967 -1.123 . . . . 50.0 107.967 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.1 153.75 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.274 -0.639 . . . . 50.0 109.274 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -102.29 140.65 36.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.62 131.63 72.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.271 -1.381 . . . . 50.0 107.271 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -120.77 109.29 14.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -93.98 134.51 36.3 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.2 t -130.04 130.97 66.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.137 0.494 . . . . 50.0 112.065 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -132.95 144.44 50.13 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 105.199 -2.148 . . . . 50.0 105.199 171.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.69 -10.93 60.21 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.42 26.72 1.61 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.052 -0.522 . . . . 50.0 110.032 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.91 29.72 8.19 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.702 1.201 . . . . 25.0 113.298 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 21.23 9.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.799 0.809 . . . . 25.0 108.929 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.62 147.76 41.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.296 -0.866 . . . . 50.0 110.169 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.07 152.86 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.367 -1.716 . . . . 50.0 106.367 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 t -134.99 147.45 49.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -156.66 174.89 14.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.555 -1.646 . . . . 50.0 106.555 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -126.71 147.66 49.94 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.823 -0.436 . . . . 50.0 109.823 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.6 mt -126.24 147.24 49.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.916 -0.402 . . . . 50.0 109.916 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.23 128.07 43.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.178 -1.045 . . . . 50.0 108.178 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.84 161.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.122 -0.696 . . . . 50.0 109.122 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -81.97 168.23 18.08 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.364 -1.347 . . . . 50.0 107.364 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.07 75.3 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 12.12 12.24 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.819 -0.628 . . . . 50.0 112.553 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.85 129.57 41.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -69.6 147.65 50.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.762 -0.654 . . . . 50.0 110.051 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.85 -35.73 80.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.42 -0.585 . . . . 50.0 109.42 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -57.87 -40.08 79.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 50.0 110.364 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -78.05 -38.84 43.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 120.886 0.374 . . . . 50.0 110.328 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.46 -44.3 96.74 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.74 0.644 . . . . 50.0 112.74 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.81 73.11 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.284 -0.567 . . . . 50.0 110.572 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.98 64.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.068 0.461 . . . . 25.0 110.268 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.55 -41.39 93.08 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.882 -0.511 . . . . 50.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 15.5 p -75.22 -26.04 58.61 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 120.445 -0.502 . . . . 50.0 111.238 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.55 -43.69 84.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.93 -44.68 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.533 -0.758 . . . . 50.0 111.725 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -70.81 -42.88 69.7 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.366 0.506 . . . . 50.0 112.366 -178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.0 p -79.63 -22.33 43.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.89 14.2 82.85 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.792 -0.718 . . . . 25.0 114.463 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.2 pt -125.07 138.46 31.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 117.46 0.63 . . . . 50.0 109.339 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -64.44 134.69 42.68 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.477 1.299 . . . . 50.0 115.477 -172.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -23.98 64.46 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.82 63.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.012 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -100.58 9.91 41.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.587 0.708 . . . . 50.0 109.227 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.5 m -131.96 168.71 17.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.615 0.721 . . . . 50.0 111.721 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -128.49 146.82 50.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 106.822 -1.548 . . . . 50.0 106.822 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.7 tt -120.71 134.55 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.6 t -128.77 139.44 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 124.252 1.021 . . . . 50.0 110.046 -167.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -137.84 139.31 39.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.885 -1.154 . . . . 50.0 107.885 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 42.81 25.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.205 0.526 . . . . 25.0 110.832 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 58.83 12.88 2.46 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.661 1.726 . . . . 50.0 115.661 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -119.81 142.65 33.51 Favored Pre-proline 0 N--CA 1.47 0.533 0 O-C-N 121.609 -0.682 . . . . 25.0 110.818 175.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.09 145.59 49.91 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 116.566 -1.823 . . . . 50.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 12.1 mt -89.88 94.1 9.68 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.1 p -108.79 -24.24 11.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.85 1.796 . . . . 25.0 115.85 -174.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -85.64 79.33 9.39 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -67.06 -2.78 5.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.463 1.282 . . . . 25.0 114.463 -173.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.47 10.58 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.335 0.654 . . . . 50.0 112.368 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -118.11 143.91 46.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 122.072 -0.392 . . . . 50.0 110.989 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 81.5 p -76.02 160.38 29.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.919 -0.582 . . . . 50.0 109.918 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.91 -34.38 78.26 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.476 0.655 . . . . 50.0 112.582 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.94 -28.03 69.8 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.044 -0.41 . . . . 25.0 110.397 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.3 t -69.1 -16.95 63.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.853 0.316 . . . . 50.0 111.853 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -101.98 -6.18 23.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.132 -0.322 . . . . 50.0 110.132 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.13 20.65 56.99 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 119.116 -0.825 . . . . 25.0 113.828 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.92 85.91 0.7 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.538 1.169 . . . . 50.0 109.554 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -82.26 167.82 18.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.3 0.571 . . . . 50.0 110.877 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -55.34 126.32 24.5 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.973 -0.558 . . . . 50.0 110.671 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.92 -10.29 66.04 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.602 -0.726 . . . . 25.0 114.515 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.55 163.31 28.2 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 117.85 0.825 . . . . 50.0 111.22 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.8 t -125.31 139.38 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.569 0.581 . . . . 50.0 112.569 -171.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.55 156.5 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.394 -0.965 . . . . 50.0 108.394 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.8 mt -121.63 128.7 75.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.839 -0.8 . . . . 50.0 108.839 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 10.0 tt -113.16 133.98 54.78 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.594 -0.891 . . . . 50.0 108.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.96 128.25 51.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.964 -0.46 . . . . 50.0 110.227 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 123.596 0.758 . . . . 50.0 111.065 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 124.88 2.276 . . . . 25.0 112.748 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.2 -35.75 0.02 OUTLIER Glycine 0 C--O 1.225 -0.415 0 CA-C-N 113.042 -1.89 . . . . 25.0 112.545 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 52.04 34.36 13.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.572 1.323 . . . . 25.0 114.572 172.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -103.93 133.43 48.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.491 0.662 . . . . 25.0 110.558 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.73 171.51 18.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 103.89 -2.633 . . . . 25.0 103.89 176.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -139.61 141.8 37.1 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -114.33 133.65 55.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.165 -1.791 . . . . 25.0 106.165 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -71.29 119.22 15.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -152.89 178.16 9.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -130.54 154.75 47.49 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 172.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -160.87 -179.48 7.6 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.181 -2.155 . . . . 25.0 105.181 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -64.91 135.17 55.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 m -72.13 75.34 0.96 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.9 p -79.12 -31.13 44.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.24 8.97 87.1 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.06 -0.59 . . . . 25.0 111.631 -175.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -104.01 173.64 6.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.04 117.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -80.98 154.46 26.92 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.444 0.64 . . . . 25.0 111.049 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.89 169.75 54.35 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 115.551 -0.75 . . . . 25.0 114.656 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -139.74 33.1 2.01 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -135.82 169.98 16.7 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -99.57 169.19 9.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.468 0.651 . . . . 50.0 112.232 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.8 tp -131.75 131.93 43.4 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.67 -2.344 . . . . 50.0 104.67 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.12 153.82 40.92 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.596 -0.89 . . . . 50.0 108.596 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -103.52 140.74 37.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.18 123.64 65.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.577 -0.897 . . . . 50.0 108.577 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -109.94 112.85 25.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.54 125.86 49.4 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.234 -0.291 . . . . 25.0 110.473 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.73 130.64 58.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-O 121.13 0.49 . . . . 50.0 110.93 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -125.08 145.38 49.95 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.972 -1.492 . . . . 50.0 106.972 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -65.11 -24.08 67.32 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.308 1.225 . . . . 25.0 114.308 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 16.07 2.57 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.206 0.447 . . . . 50.0 112.206 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 114' ' ' GLU . 80.5 mt 58.09 28.06 15.83 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.496 1.141 . . . . 25.0 109.881 -173.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.6 t -89.27 25.54 1.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.968 -1.469 . . . . 25.0 107.718 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 112' ' ' LEU . 14.8 pt-20 -72.68 150.99 42.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.793 -1.094 . . . . 50.0 109.461 -176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.6 p -152.1 153.81 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 50.0 107.981 -174.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -130.97 142.56 50.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -155.06 176.92 11.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.862 -1.533 . . . . 50.0 106.862 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.9 m -128.45 148.49 50.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.903 0.319 . . . . 50.0 110.309 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.69 143.51 50.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 116.205 -0.452 . . . . 50.0 110.316 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.22 128.9 44.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.51 161.06 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.462 -0.94 . . . . 50.0 108.462 -175.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.15 167.67 10.07 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.902 -0.777 . . . . 50.0 108.902 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.64 72.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.137 0.494 . . . . 25.0 110.698 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -85.5 2.6 44.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.582 -0.736 . . . . 50.0 112.601 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.64 125.81 28.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.715 -0.616 . . . . 50.0 111.532 -176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.3 152.46 43.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.967 -0.561 . . . . 50.0 112.476 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -35.51 80.59 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.825 -1.176 . . . . 50.0 107.825 170.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -58.85 -44.28 90.96 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.123 0.487 . . . . 50.0 111.163 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -73.67 -34.21 64.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.79 0.329 . . . . 50.0 110.15 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -63.37 -42.86 98.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.269 0.84 . . . . 50.0 113.269 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -65.87 -30.01 70.55 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.471 -0.892 . . . . 50.0 110.829 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.28 63.87 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.266 0.555 . . . . 25.0 110.374 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.62 -36.66 84.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.518 0.675 . . . . 50.0 109.64 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.73 -35.56 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.559 . . . . 50.0 111.391 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.46 -38.23 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.079 -0.341 . . . . 25.0 110.079 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.98 -44.13 97.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.671 0.619 . . . . 50.0 112.671 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.71 -31.28 41.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.621 0.6 . . . . 50.0 112.621 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.8 p -89.83 -20.32 23.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 -174.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.53 70.95 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.328 0.891 . . . . 25.0 115.328 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.64 153.62 81.18 Favored Pre-proline 0 C--O 1.219 -0.518 0 CA-C-N 117.425 0.613 . . . . 50.0 110.4 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.49 124.47 12.91 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 116.697 -1.735 . . . . 50.0 113.211 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.51 -24.82 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.517 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.98 69.14 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -96.01 27.06 3.78 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.747 0.784 . . . . 50.0 109.973 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -140.74 159.49 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.817 0.673 . . . . 50.0 112.817 -173.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.72 147.15 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.631 -1.618 . . . . 50.0 106.631 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.34 133.75 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.5 m -129.82 152.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.159 -0.473 . . . . 50.0 109.815 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -136.68 131.94 34.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 103.677 -2.712 . . . . 50.0 103.677 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.06 42.15 28.24 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -171.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 59.66 5.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.257 1.947 . . . . 50.0 116.257 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -109.09 139.8 21.32 Favored Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 121.646 -0.658 . . . . 25.0 109.712 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.48 145.33 52.67 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 116.992 -1.539 . . . . 50.0 116.042 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 80.4 mt -96.78 109.5 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.055 -1.461 . . . . 50.0 107.055 176.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 51.9 p -118.24 -35.67 3.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -172.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -81.66 96.51 7.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.869 0.842 . . . . 25.0 110.481 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -65.08 -19.01 65.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -175.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -72.09 -19.16 61.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.38 0.609 . . . . 50.0 112.128 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -89.61 147.63 23.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.664 -0.647 . . . . 50.0 112.26 -176.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 93.7 p -78.87 161.05 27.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 50.0 109.446 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.89 -34.61 78.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.095 0.474 . . . . 50.0 111.309 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.09 71.19 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.189 -0.319 . . . . 25.0 110.305 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.7 t -69.95 -20.14 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.437 -0.165 . . . . 50.0 110.652 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -94.4 -5.59 46.04 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.815 -0.439 . . . . 50.0 109.815 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.7 21.16 56.76 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-O 119.264 -0.742 . . . . 25.0 113.355 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.56 86.72 0.89 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.271 1.035 . . . . 50.0 109.645 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -72.92 161.54 30.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.482 -0.781 . . . . 50.0 110.371 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -59.42 127.34 31.62 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.09 -1.078 . . . . 50.0 108.09 174.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.21 58.35 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.573 -0.74 . . . . 25.0 114.2 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.15 156.39 36.33 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.365 1.082 . . . . 50.0 110.745 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.28 139.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 50.0 110.614 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.17 156.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.503 -1.295 . . . . 50.0 107.503 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.8 mt -122.81 129.07 75.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 107.123 -1.436 . . . . 50.0 107.123 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.77 136.79 52.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.498 -1.297 . . . . 50.0 107.498 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -130.41 108.85 10.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.278 -0.638 . . . . 50.0 109.278 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 123.607 1.67 . . . . 50.0 111.724 -177.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 76.1 mtm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 122.527 1.156 . . . . 25.0 113.476 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.38 -177.3 41.74 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 109.139 -1.585 . . . . 25.0 109.139 -177.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -131.72 165.14 24.4 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -115.8 163.28 16.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -133.13 165.4 24.86 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 -176.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -107.33 150.08 27.1 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -138.05 165.94 25.35 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 t60 51.68 74.16 0.27 Allowed 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.931 0.769 . . . . 25.0 112.316 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -65.1 130.9 45.02 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.239 -1.393 . . . . 25.0 107.239 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -69.54 132.98 47.12 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.066 -0.346 . . . . 25.0 110.066 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.14 141.03 43.75 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -139.53 -42.92 0.45 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.549 1.315 . . . . 25.0 114.549 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -31.65 70.05 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.6 p 51.9 -156.45 0.14 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.85 37.4 0.13 Allowed Glycine 0 C--O 1.225 -0.432 0 N-CA-C 110.611 -0.996 . . . . 25.0 110.611 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -77.09 124.65 28.11 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 122.159 -0.612 . . . . 25.0 112.201 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 78.6 mt -131.23 116.66 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 107.386 -1.339 . . . . 25.0 107.386 177.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -84.56 148.45 26.48 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.78 24.54 0.23 Allowed Glycine 0 C--O 1.217 -0.918 0 CA-C-O 118.849 -0.973 . . . . 25.0 114.975 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 55.89 60.16 3.41 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 122.403 1.096 . . . . 25.0 112.079 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -93.22 162.57 13.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 104.532 -2.396 . . . . 25.0 104.532 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 44.3 mtm -131.81 171.03 14.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.726 0.298 . . . . 50.0 110.794 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.76 133.06 47.97 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.503 -1.666 . . . . 50.0 106.503 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.74 152.63 47.5 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.472 -0.936 . . . . 50.0 108.472 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -101.18 137.63 39.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.18 122.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.169 -0.678 . . . . 50.0 109.169 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -106.57 114.79 29.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.75 130.91 44.68 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.9 t -115.37 131.88 66.37 Favored 'Isoleucine or valine' 0 C--O 1.245 0.84 0 N-CA-C 113.123 0.786 . . . . 50.0 113.123 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -124.71 145.74 49.53 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 106.917 -1.512 . . . . 50.0 106.917 169.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.4 -30.66 71.37 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.75 23.26 1.0 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.285 0.476 . . . . 50.0 112.285 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 114' ' ' GLU . 82.7 mt 56.11 30.89 17.17 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.508 1.123 . . . . 25.0 112.53 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.77 24.59 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 112' ' ' LEU . 21.7 pt-20 -72.39 152.69 41.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.532 -1.213 . . . . 50.0 110.389 -174.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -150.55 154.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.412 -1.699 . . . . 50.0 106.412 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -132.55 142.68 49.28 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 175.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -150.34 176.15 11.16 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 106.477 -1.675 . . . . 50.0 106.477 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 91.7 p -128.81 152.58 48.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.179 -0.674 . . . . 50.0 109.179 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.5 mt -128.61 141.36 51.38 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.217 0.532 . . . . 50.0 110.366 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -91.54 127.74 37.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.716 -1.957 . . . . 50.0 105.716 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.68 -179.64 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.816 -1.179 . . . . 50.0 107.816 -174.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -108.96 166.96 10.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.787 -0.819 . . . . 50.0 108.787 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.23 91.37 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -92.89 15.53 14.61 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.694 0.759 . . . . 50.0 111.925 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.64 127.51 31.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.556 . . . . 50.0 110.518 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -69.98 148.6 48.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.812 0.339 . . . . 50.0 110.669 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.49 -28.16 69.47 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.115 -0.366 . . . . 50.0 111.467 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.79 -44.46 96.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.65 0.738 . . . . 50.0 109.351 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.92 -40.26 68.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.676 0.75 . . . . 50.0 109.592 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.09 -42.62 98.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.577 0.584 . . . . 50.0 112.577 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -69.47 -29.6 67.3 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.611 -0.836 . . . . 50.0 111.315 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.76 79.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 mp -63.12 -43.38 98.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.653 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.6 p -76.74 -25.07 53.08 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 119.685 -0.806 . . . . 50.0 112.022 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.46 -41.49 96.48 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.45 -45.21 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.821 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -68.98 -35.72 77.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.275 0.559 . . . . 50.0 111.184 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.1 m -80.23 -26.01 39.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.52 30.42 73.1 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.49 0.556 . . . . 25.0 114.49 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.04 152.58 77.74 Favored Pre-proline 0 N--CA 1.473 0.71 0 N-CA-C 109.089 -0.708 . . . . 50.0 109.089 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -68.87 134.52 30.1 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 115.812 -2.325 . . . . 50.0 112.998 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.05 67.87 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.965 -0.459 . . . . 25.0 110.737 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.79 -22.33 66.96 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -103.49 8.5 37.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.976 0.362 . . . . 50.0 111.976 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 78.6 p -143.4 167.28 22.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.868 1.062 . . . . 50.0 113.868 -173.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.35 160.3 38.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.61 -0.885 . . . . 50.0 108.61 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 tt -124.98 134.93 65.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.306 -0.628 . . . . 25.0 109.306 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.16 138.4 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 124.247 1.019 . . . . 50.0 110.551 -168.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -142.84 143.72 32.22 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.453 -1.314 . . . . 50.0 107.453 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.09 44.94 28.44 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.837 0.455 . . . . 25.0 110.773 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.7 9.76 2.32 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.25 1.574 . . . . 50.0 115.25 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.14 145.08 54.05 Favored Pre-proline 0 N--CA 1.466 0.353 0 O-C-N 121.771 -0.581 . . . . 25.0 112.17 -178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.87 145.02 49.67 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 116.39 -1.94 . . . . 50.0 112.166 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.6 mt -88.3 80.46 7.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -80.74 -39.27 27.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.276 1.584 . . . . 25.0 115.276 -171.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -83.76 89.66 7.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.713 0.768 . . . . 25.0 110.394 -176.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -71.22 -7.67 48.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.418 1.266 . . . . 25.0 114.418 -174.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -83.52 -15.83 47.87 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.133 0.492 . . . . 50.0 111.532 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.39 153.31 22.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.713 -0.617 . . . . 50.0 111.335 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.9 p -81.62 161.54 23.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.814 -0.63 . . . . 50.0 110.506 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.13 -36.49 84.19 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 112.577 0.584 . . . . 50.0 112.577 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.89 70.87 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.191 -0.318 . . . . 25.0 110.621 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 23.0 t -66.75 -19.85 65.84 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.172 -0.33 . . . . 50.0 111.253 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -101.36 -2.82 30.01 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.903 0.382 . . . . 50.0 110.07 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 78.98 28.64 53.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-O 119.169 -0.795 . . . . 25.0 112.694 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.01 83.89 1.26 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.633 1.217 . . . . 50.0 109.454 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -68.41 151.56 46.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.702 -0.681 . . . . 50.0 110.241 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.47 133.12 55.8 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.61 -11.03 66.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.628 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.87 164.95 26.01 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 118.884 1.342 . . . . 50.0 112.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 24.1 t -115.27 132.4 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.468 0.651 . . . . 50.0 111.924 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 4.1 t -112.08 144.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.234 -1.395 . . . . 50.0 107.234 178.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.41 120.78 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.377 0.608 . . . . 50.0 109.477 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.1 tt -99.4 130.92 45.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.545 -2.02 . . . . 50.0 105.545 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -124.33 120.04 31.01 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.306 -0.872 . . . . 50.0 112.66 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.208 -1.115 0 CA-C-O 123.89 1.805 . . . . 50.0 109.737 168.754 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 95.0 mtp . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 125.243 2.449 . . . . 25.0 112.096 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.92 -169.86 52.43 Favored Glycine 0 C--O 1.223 -0.575 0 CA-C-N 112.009 -2.359 . . . . 25.0 110.591 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -71.62 -41.04 69.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.908 0.385 . . . . 25.0 111.526 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 45.98 42.73 9.72 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.979 1.103 . . . . 25.0 113.979 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -62.82 132.79 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -71.43 133.15 45.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.164 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -146.28 42.89 1.2 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -174.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -72.96 152.0 41.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 175.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -134.59 169.32 17.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -150.73 176.09 11.36 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 105.622 -1.992 . . . . 25.0 105.622 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -138.86 -176.82 4.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -119.86 162.2 19.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.845 -1.168 . . . . 25.0 107.845 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -88.46 146.1 25.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.0 p -149.38 56.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.929 -0.397 . . . . 25.0 109.929 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.48 -36.28 90.89 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 115.214 0.846 . . . . 25.0 115.214 -175.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 53.55 35.51 21.06 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.0 mt -91.13 124.23 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -140.48 139.89 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.324 -1.732 . . . . 25.0 106.324 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.89 -178.01 41.89 Favored Glycine 0 C--O 1.227 -0.298 0 N-CA-C 110.637 -0.985 . . . . 25.0 110.637 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -100.81 75.02 1.68 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.259 0.529 . . . . 25.0 110.252 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -129.39 165.85 20.72 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -131.73 164.96 24.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.818 -0.438 . . . . 50.0 109.818 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -122.28 133.59 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.01 154.39 39.92 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.232 -1.025 . . . . 50.0 108.232 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.39 138.09 47.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.131 -1.063 . . . . 25.0 108.131 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.59 131.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.098 -1.075 . . . . 50.0 108.098 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -117.04 113.44 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.713 -1.218 . . . . 25.0 107.713 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.415 ' HG ' ' HB3' ' A' ' 174' ' ' LEU . 78.8 m -98.96 135.7 40.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.84 131.94 70.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 122.893 0.477 . . . . 50.0 111.921 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -124.29 148.27 47.54 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.057 -1.831 . . . . 50.0 106.057 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -66.04 -22.38 66.43 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.51 18.53 2.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.583 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.9 mt 57.09 28.82 15.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.09 0.956 . . . . 25.0 111.476 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.7 m -90.45 26.04 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 25.0 109.284 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.35 148.1 45.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.244 -0.889 . . . . 50.0 110.844 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.48 157.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.428 -1.323 . . . . 50.0 107.428 -173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -136.24 149.67 48.62 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.023 -1.103 . . . . 25.0 108.023 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.55 173.15 17.35 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.09 -1.818 . . . . 50.0 106.09 -176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.8 m -124.84 150.02 46.85 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.095 -0.706 . . . . 50.0 109.095 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.07 143.55 51.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.207 -0.664 . . . . 50.0 109.207 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -102.36 125.98 49.24 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.547 -1.649 . . . . 50.0 106.547 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.64 166.58 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.904 -0.776 . . . . 50.0 108.904 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.43 166.96 12.97 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.566 -1.272 . . . . 50.0 107.566 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.5 74.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.42 -5.16 57.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 50.0 112.299 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.5 127.71 32.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.288 0.566 . . . . 50.0 110.879 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.498 ' HG2' ' H ' ' A' ' 129' ' ' ASN . 1.6 pm0 -79.27 150.85 31.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.164 0.801 . . . . 50.0 113.164 -174.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 50.0 109.685 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -58.69 -44.84 90.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 50.0 112.067 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.498 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 76.0 m-20 -80.76 -30.34 36.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.167 -0.47 . . . . 50.0 109.98 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.13 -45.48 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.97 -0.457 . . . . 50.0 112.046 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -65.74 -28.29 68.93 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.043 -0.663 . . . . 50.0 110.856 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.9 70.59 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.98 -37.74 88.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.676 -0.491 . . . . 50.0 109.676 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.08 -40.61 94.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.92 -0.487 . . . . 50.0 110.512 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.53 -40.33 96.45 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.087 0.555 . . . . 25.0 110.709 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.84 -45.91 90.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 50.0 112.085 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -79.36 -34.7 41.81 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.675 0.621 . . . . 50.0 112.675 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 89.7 p -81.65 -24.59 36.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.32 70.38 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 115.068 0.787 . . . . 25.0 115.068 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.4 pt -125.2 145.65 51.3 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 107.74 -1.207 . . . . 50.0 107.74 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.27 128.22 23.25 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 116.407 -1.928 . . . . 50.0 114.177 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.17 -27.3 67.91 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.78 -24.83 67.02 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -95.96 -0.69 50.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 50.0 110.672 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 m -119.38 161.01 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.29 0.478 . . . . 50.0 112.29 -170.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -121.54 146.36 47.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.35 -0.982 . . . . 50.0 108.35 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -121.75 131.05 73.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 -175.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.42 133.88 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.489 0.716 . . . . 50.0 111.228 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -136.54 139.78 42.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.35 -1.722 . . . . 50.0 106.35 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.39 41.52 28.32 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 123.002 0.521 . . . . 25.0 111.482 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.65 13.68 3.56 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.051 1.501 . . . . 50.0 115.051 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -119.48 136.92 24.92 Favored Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 121.733 -0.604 . . . . 25.0 110.716 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.65 149.42 48.91 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 115.995 -2.203 . . . . 50.0 112.059 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.1 mt -99.46 89.99 4.36 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.761 -1.2 . . . . 50.0 107.761 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.2 p -99.42 -20.86 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.849 1.425 . . . . 25.0 114.849 -172.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.96 99.37 12.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -65.65 -20.07 66.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.391 -0.822 . . . . 25.0 112.484 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -83.53 -6.03 59.33 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 113.366 0.876 . . . . 50.0 113.366 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -90.97 148.24 22.55 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 121.353 -0.842 . . . . 50.0 109.923 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 92.7 p -79.59 159.04 26.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 50.0 107.782 173.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 35.6 mt -65.22 -33.39 75.88 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.451 0.643 . . . . 50.0 110.951 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.043 -0.411 . . . . 25.0 110.005 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.86 -17.1 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.266 -0.271 . . . . 50.0 110.724 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.53 -6.36 40.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.85 -0.426 . . . . 50.0 109.85 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.04 19.7 56.96 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 114.267 0.467 . . . . 25.0 114.267 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.23 88.6 0.84 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.53 0.665 . . . . 50.0 111.009 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.07 155.74 33.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.021 -0.99 . . . . 50.0 110.598 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -59.69 130.65 47.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.181 -1.044 . . . . 50.0 108.181 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.97 -11.55 67.68 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.584 -0.734 . . . . 25.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -65.72 148.8 51.16 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.162 0.981 . . . . 50.0 111.086 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.3 t -108.61 128.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.407 -0.815 . . . . 50.0 109.784 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.52 135.73 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.194 -1.039 . . . . 50.0 108.194 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.27 120.48 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.465 -0.939 . . . . 50.0 108.465 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.415 ' HB3' ' HG ' ' A' ' 107' ' ' CYS . 9.4 tt -113.27 131.47 55.91 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.523 -1.658 . . . . 50.0 106.523 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -130.73 132.04 45.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.752 0.649 . . . . 50.0 112.752 -172.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 118.118 -0.944 . . . . 50.0 109.866 170.405 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 122.649 1.214 . . . . 25.0 113.403 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.44 172.69 45.38 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.363 -1.495 . . . . 25.0 109.363 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -116.55 71.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.652 0.726 . . . . 25.0 110.721 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 58.87 -168.72 0.14 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 114.668 -1.151 . . . . 25.0 113.449 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -159.28 169.2 24.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -134.55 -55.21 0.84 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 62.84 -178.44 0.14 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.063 0.945 . . . . 25.0 113.048 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.0 m80 58.43 31.86 21.44 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.875 1.435 . . . . 25.0 114.875 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -78.11 82.72 4.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -62.98 -42.28 99.8 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 67.95 138.83 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -78.35 138.66 38.66 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -147.59 157.63 43.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 105.105 -2.183 . . . . 25.0 105.105 176.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.0 p -152.08 163.69 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.79 32.32 0.43 Allowed Glycine 0 C--O 1.224 -0.5 0 N-CA-C 111.262 -0.735 . . . . 25.0 111.262 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -75.59 137.59 40.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.9 pt -144.17 162.68 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 106.347 -1.723 . . . . 25.0 106.347 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -113.97 149.88 34.65 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.087 -0.708 . . . . 25.0 109.087 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.22 -175.42 34.2 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 107.979 -2.048 . . . . 25.0 107.979 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -146.79 126.42 13.35 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 118.336 1.068 . . . . 25.0 110.264 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -152.8 168.22 26.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.031 -2.211 . . . . 25.0 105.031 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -144.48 164.6 30.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.187 -0.671 . . . . 50.0 109.187 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.25 130.02 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.851 -0.796 . . . . 50.0 108.851 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.29 153.71 38.56 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.721 -0.844 . . . . 50.0 108.721 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -104.97 141.06 37.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.4 124.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 108.509 -0.923 . . . . 50.0 108.509 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.27 109.07 19.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.3 t -93.69 134.3 36.15 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.7 t -127.55 131.34 70.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.142 0.496 . . . . 50.0 111.962 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.24 147.17 50.22 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.841 -1.17 . . . . 50.0 107.841 171.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -66.17 -25.89 67.16 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 111.899 0.333 . . . . 25.0 111.899 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -81.18 23.18 0.6 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.507 0.558 . . . . 50.0 112.507 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt 57.46 29.75 17.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.507 1.123 . . . . 25.0 112.11 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.97 21.16 4.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.411 -0.813 . . . . 25.0 109.059 176.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.56 146.08 46.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.164 -0.925 . . . . 50.0 111.111 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 148.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 107.757 -1.201 . . . . 50.0 107.757 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -125.96 143.03 51.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -155.61 174.48 15.21 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.789 -1.56 . . . . 50.0 106.789 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -130.19 149.78 51.74 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.754 -0.462 . . . . 50.0 109.754 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.0 mt -130.28 148.04 52.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.077 -0.511 . . . . 50.0 110.752 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -97.42 127.99 43.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.836 -1.542 . . . . 50.0 106.836 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.6 m -140.44 163.16 23.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.023 -0.732 . . . . 50.0 109.023 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -83.44 161.59 21.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.69 -0.855 . . . . 50.0 108.69 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.02 73.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 25.0 109.89 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.97 8.78 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.415 -0.811 . . . . 50.0 112.625 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -63.92 127.04 29.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.257 0.551 . . . . 50.0 109.985 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.2 149.57 47.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.776 -0.647 . . . . 50.0 110.622 -177.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -35.59 78.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.543 -0.299 . . . . 50.0 111.267 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -60.37 -46.78 88.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 50.0 110.0 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -69.22 -31.65 70.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 50.0 109.6 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -63.39 -41.43 98.76 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.17 -0.331 . . . . 50.0 111.685 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -60.77 -44.89 96.19 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.091 0.472 . . . . 50.0 109.938 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.7 98.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 25.0 111.229 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.08 -37.46 85.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.284 0.564 . . . . 50.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.73 -41.58 99.25 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.788 -0.642 . . . . 50.0 110.585 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.62 -41.56 99.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.542 0.337 . . . . 25.0 110.179 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.08 -48.73 78.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 50.0 110.926 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.63 -43.08 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.373 0.606 . . . . 50.0 111.884 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.4 t -79.93 -16.1 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.82 24.97 75.07 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.347 -0.454 . . . . 25.0 113.914 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.1 pt -133.94 145.84 57.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.598 -0.519 . . . . 50.0 109.598 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -65.39 133.76 36.11 Favored 'Trans proline' 0 C--O 1.238 0.511 0 C-N-CA 115.992 -2.205 . . . . 50.0 113.069 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.25 68.3 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.78 71.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.756 0.312 . . . . 25.0 111.775 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -83.55 9.62 10.95 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.595 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.3 p -137.24 160.67 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 116.419 2.007 . . . . 50.0 116.419 -173.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -120.03 152.95 36.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.728 -1.124 . . . . 50.0 108.045 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.2 tt -121.37 136.16 59.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.33 138.46 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.458 -0.941 . . . . 50.0 108.458 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -138.12 131.24 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.448 -0.945 . . . . 50.0 108.448 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.94 41.77 27.42 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.147 0.499 . . . . 25.0 110.546 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 60.73 11.49 3.18 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.202 1.556 . . . . 50.0 115.202 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -110.96 132.2 21.77 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 121.721 -0.612 . . . . 25.0 109.403 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -70.89 146.86 54.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 115.256 -2.696 . . . . 50.0 111.361 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 81.4 mt -102.56 98.75 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.457 -0.942 . . . . 50.0 108.457 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 75.0 p -115.41 -22.84 9.13 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 87.76 7.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.116 0.96 . . . . 25.0 110.054 -177.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.96 -15.3 62.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.706 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.07 3.88 4.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.858 1.058 . . . . 50.0 113.858 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -120.83 141.17 50.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.523 -0.736 . . . . 50.0 110.789 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.13 161.48 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.516 -0.765 . . . . 50.0 109.851 176.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.01 -38.98 93.36 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.218 0.822 . . . . 50.0 113.218 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.67 70.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 122.046 -0.409 . . . . 25.0 110.758 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 15.6 m -69.53 -17.07 63.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.202 0.445 . . . . 50.0 112.202 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -98.44 -2.86 38.04 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.904 -0.406 . . . . 50.0 109.904 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.56 18.05 59.24 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 119.3 -0.722 . . . . 25.0 113.631 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.86 86.42 2.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 118.503 1.151 . . . . 50.0 108.249 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -83.74 169.62 15.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.26 125.54 22.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.604 0.716 . . . . 50.0 110.105 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.32 -14.26 59.64 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.095 -0.957 . . . . 25.0 114.014 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.82 154.55 41.73 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 118.217 1.008 . . . . 50.0 109.275 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -126.67 138.51 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 50.0 111.568 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.08 160.76 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 107.676 -1.231 . . . . 50.0 107.676 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.03 132.45 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 106.962 -1.496 . . . . 50.0 106.962 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tp -116.8 134.52 54.69 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.218 -1.401 . . . . 50.0 107.218 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -119.84 117.15 27.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.762 -0.829 . . . . 50.0 108.762 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 123.167 1.46 . . . . 50.0 110.947 -179.447 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 22.1 ttt . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 122.82 1.295 . . . . 25.0 113.701 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.91 169.37 42.52 Favored Glycine 0 C--N 1.337 0.619 0 O-C-N 121.173 -0.954 . . . . 25.0 111.219 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -103.92 82.65 2.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.171 0.51 . . . . 25.0 110.549 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -120.4 12.94 11.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.44 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -82.25 87.95 6.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.09 -0.381 . . . . 25.0 111.852 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.1 m80 57.86 -169.2 0.12 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.865 0.866 . . . . 25.0 112.301 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -138.73 -54.72 0.61 Allowed 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.255 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -137.86 -55.71 0.67 Allowed 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 60.16 26.98 16.42 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.686 0.755 . . . . 25.0 111.296 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -88.25 168.15 12.96 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -111.58 147.49 35.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 103.239 -2.874 . . . . 25.0 103.239 168.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -156.71 162.24 39.8 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.044 -0.724 . . . . 25.0 109.044 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.9 t 61.27 24.09 14.24 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.806 0.843 . . . . 25.0 112.312 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -76.34 158.68 31.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.68 -72.95 0.47 Allowed Glycine 0 C--O 1.218 -0.847 0 CA-C-O 119.507 -0.607 . . . . 25.0 112.005 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 52.03 50.22 18.99 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.789 0.804 . . . . 25.0 111.194 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.09 145.57 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.239 -0.891 . . . . 25.0 111.731 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.57 -18.99 39.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.475 -0.784 . . . . 25.0 111.318 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.81 -144.45 30.12 Favored Glycine 0 C--O 1.223 -0.539 0 C-N-CA 121.138 -0.553 . . . . 25.0 112.145 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 53.22 68.02 0.91 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.29 1.218 . . . . 25.0 114.29 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -141.97 167.36 22.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 171.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -133.86 172.05 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.62 -1.252 . . . . 50.0 107.62 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.08 128.2 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.168 -0.679 . . . . 50.0 109.168 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.25 149.3 42.0 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 109.793 -0.447 . . . . 50.0 109.793 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -104.24 140.87 37.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.23 126.34 72.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 107.443 -1.317 . . . . 50.0 107.443 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.03 108.4 19.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.8 t -97.63 116.37 29.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.953 0.406 . . . . 25.0 110.004 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.45 119.65 47.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-O 121.403 0.62 . . . . 50.0 112.204 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -97.77 136.8 37.58 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 105.369 -2.086 . . . . 50.0 105.369 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.29 -16.04 63.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.766 0.317 . . . . 25.0 111.767 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -92.12 25.24 2.95 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.902 -0.59 . . . . 50.0 110.879 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.7 mt 58.21 18.81 5.64 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 25.78 1.45 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.77 0.795 . . . . 25.0 110.122 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.42 153.17 41.56 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.897 -1.047 . . . . 50.0 112.172 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.87 158.49 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.647 -1.242 . . . . 50.0 107.647 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -133.95 149.21 51.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 174.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -154.73 170.54 21.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.405 -1.702 . . . . 50.0 106.405 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.4 m -129.33 147.98 51.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.028 -0.36 . . . . 50.0 110.028 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.6 mt -131.37 149.05 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 50.0 109.162 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -106.64 134.18 50.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.749 -0.834 . . . . 50.0 108.749 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 m -148.44 168.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.044 -1.095 . . . . 50.0 108.044 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -87.28 166.92 14.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 172.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.02 -35.28 76.47 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 122.173 -0.33 . . . . 25.0 111.141 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -90.44 4.38 51.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.507 0.67 . . . . 50.0 111.997 -176.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.15 132.9 54.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.445 -0.798 . . . . 50.0 109.833 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -68.86 147.19 52.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 50.0 111.334 -176.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -34.3 77.33 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.963 -0.46 . . . . 50.0 110.21 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -61.41 -38.59 87.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.542 0.687 . . . . 50.0 109.81 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.31 -42.65 62.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.694 -0.685 . . . . 50.0 109.734 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -60.76 -43.3 98.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.534 0.568 . . . . 50.0 112.534 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -67.39 -29.84 69.46 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.062 -0.655 . . . . 50.0 111.155 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.23 71.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mp -62.05 -44.84 95.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.33 -0.396 . . . . 50.0 110.828 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.3 p -73.94 -25.32 59.9 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 119.644 -0.822 . . . . 50.0 111.358 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -67.69 -44.53 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.91 -45.04 91.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.704 -0.68 . . . . 50.0 111.227 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -67.98 -41.51 82.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.097 0.475 . . . . 50.0 111.428 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.3 t -77.89 -22.22 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.11 32.75 77.18 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 114.509 0.564 . . . . 25.0 114.509 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 42.2 pt -125.13 150.6 67.37 Favored Pre-proline 0 C--O 1.216 -0.702 0 CA-C-N 117.415 0.607 . . . . 50.0 110.482 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -69.89 127.87 15.11 Favored 'Trans proline' 0 C--O 1.24 0.582 0 C-N-CA 115.959 -2.227 . . . . 50.0 112.326 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.33 67.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.046 -0.409 . . . . 25.0 111.173 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.11 69.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.948 0.404 . . . . 25.0 111.875 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -97.73 13.99 28.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.931 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.7 p -147.85 170.93 16.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.905 0.706 . . . . 50.0 112.905 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -138.12 151.64 47.97 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 107.931 -1.137 . . . . 50.0 107.931 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.9 tt -118.13 131.55 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 121.452 0.644 . . . . 25.0 109.338 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.0 t -127.72 140.27 49.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.121 -0.945 . . . . 50.0 110.4 -169.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -140.8 138.44 34.06 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.258 -1.386 . . . . 50.0 107.258 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.34 42.17 28.84 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.251 0.548 . . . . 25.0 110.987 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 59.76 11.71 2.61 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.059 1.503 . . . . 50.0 115.059 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -118.19 139.88 27.28 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.664 -0.647 . . . . 25.0 110.481 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -70.71 143.31 45.92 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 115.819 -2.321 . . . . 50.0 111.792 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.63 65.87 9.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.577 -0.738 . . . . 50.0 109.873 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 31.8 p -73.11 -42.2 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -173.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -82.57 89.09 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.929 0.871 . . . . 25.0 110.201 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -72.89 -11.98 60.79 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -171.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -80.4 -6.84 58.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.699 0.629 . . . . 50.0 112.699 -173.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -90.74 157.49 17.39 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.378 -0.374 . . . . 50.0 110.777 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.7 p -79.79 163.0 24.78 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.084 -0.71 . . . . 50.0 109.084 173.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 48.0 mt -67.67 -30.27 69.76 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.541 0.686 . . . . 50.0 110.61 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.04 69.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.695 -0.684 . . . . 25.0 111.04 175.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 26.2 t -66.58 -25.85 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.554 0.216 . . . . 50.0 111.146 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.49 -4.06 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.284 0.564 . . . . 50.0 109.658 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 73.58 24.4 74.81 Favored Glycine 0 C--O 1.238 0.406 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.1 mt -73.33 83.37 1.41 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.09 0.471 . . . . 50.0 110.443 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -78.97 168.57 19.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.653 0.739 . . . . 50.0 112.542 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.57 129.39 40.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.141 -0.936 . . . . 50.0 110.192 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.18 -11.32 67.45 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.885 -1.052 . . . . 25.0 113.878 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.85 159.3 33.96 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 118.46 1.13 . . . . 50.0 111.037 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 18.2 t -122.83 134.56 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.653 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.37 154.12 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.138 -1.43 . . . . 50.0 107.138 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 65.9 mt -118.44 115.49 48.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.747 0.784 . . . . 50.0 109.104 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.8 124.61 36.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.311 -2.107 . . . . 50.0 105.311 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -114.45 112.22 22.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.173 0.511 . . . . 50.0 111.294 -173.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.211 -0.941 0 CA-C-O 123.723 1.725 . . . . 50.0 111.595 175.539 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 77.1 mtm . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.71 1.243 . . . . 25.0 113.335 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.2 145.91 10.84 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-N 115.145 -0.934 . . . . 25.0 110.903 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.13 -41.17 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 -175.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.508 ' CG ' ' H ' ' A' ' 84' ' ' HIS . 8.0 t-80 60.27 -161.61 0.27 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.348 0.659 . . . . 25.0 110.312 -178.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.508 ' H ' ' CG ' ' A' ' 83' ' ' HIS . 37.5 m80 -132.63 164.08 27.48 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -137.04 141.72 42.45 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -138.0 44.69 2.16 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 -176.313 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -61.9 132.83 54.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.855 -0.611 . . . . 25.0 111.136 -177.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -153.06 160.37 42.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -156.49 143.98 19.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.946 -1.872 . . . . 25.0 105.946 177.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -154.66 146.83 23.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 118.449 0.568 . . . . 25.0 111.381 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -122.07 132.71 54.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 106.88 -1.526 . . . . 25.0 106.88 172.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.2 m -82.58 145.05 29.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.0 t -89.91 148.84 22.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.869 -1.159 . . . . 25.0 107.869 175.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -112.84 15.33 23.88 Favored Glycine 0 C--O 1.223 -0.571 0 C-N-CA 121.602 -0.333 . . . . 25.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -73.62 119.84 18.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.886 0.343 . . . . 25.0 110.508 -177.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.8 pt -136.01 168.91 21.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 178.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -75.55 -11.67 60.07 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.727 0.775 . . . . 25.0 110.855 179.381 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.86 171.91 30.22 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 109.847 -1.301 . . . . 25.0 109.847 -178.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -144.37 112.39 6.33 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -155.35 172.62 17.9 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 103.477 -2.786 . . . . 25.0 103.477 177.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.4 mtm -122.94 161.48 24.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.107 -0.701 . . . . 50.0 109.107 -178.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.7 tp -123.02 124.06 42.28 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 106.753 -1.573 . . . . 50.0 106.753 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -118.82 148.74 42.53 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.277 -0.638 . . . . 50.0 109.277 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -102.89 139.29 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 56.7 t -123.41 125.25 71.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.578 -1.268 . . . . 50.0 107.578 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 177.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.6 t -97.86 132.3 43.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 t -124.49 134.7 66.03 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.331 0.586 . . . . 50.0 112.292 -177.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -124.72 146.59 49.09 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.129 -1.063 . . . . 50.0 108.129 173.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -69.81 -16.89 63.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.53 15.41 4.58 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.048 -0.978 . . . . 50.0 111.047 179.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.9 mt 58.18 25.29 12.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.665 1.186 . . . . 25.0 113.855 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.67 25.91 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.248 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.33 147.56 46.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.673 -0.694 . . . . 50.0 112.301 -172.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.01 151.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 107.908 -1.145 . . . . 50.0 107.908 -174.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -131.63 143.69 50.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -152.91 172.26 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.041 -1.466 . . . . 50.0 107.041 -177.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -130.63 149.53 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.559 -0.534 . . . . 50.0 109.559 -179.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.2 mt -132.84 143.55 49.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.086 -0.506 . . . . 50.0 110.791 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -90.98 129.31 37.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.64 162.61 26.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.851 -0.613 . . . . 50.0 110.495 -175.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.95 167.03 13.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.728 -0.471 . . . . 50.0 109.728 178.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.36 86.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.663 -178.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -95.52 15.59 19.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.355 0.598 . . . . 50.0 111.061 -175.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.09 131.47 48.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.644 -1.243 . . . . 50.0 107.644 176.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.25 149.66 47.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.27 -0.269 . . . . 50.0 110.66 -176.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -31.19 72.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.574 -1.269 . . . . 50.0 107.574 171.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -58.56 -42.36 87.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 50.0 111.883 175.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.98 -37.76 46.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.299 0.571 . . . . 50.0 109.736 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -61.71 -43.68 98.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -65.86 -29.61 70.09 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 120.273 -0.571 . . . . 50.0 110.756 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.07 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.254 0.55 . . . . 25.0 109.635 177.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.85 -43.5 98.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.245 -0.434 . . . . 50.0 110.247 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 11.0 p -73.9 -24.45 59.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.107 -0.637 . . . . 50.0 111.419 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -66.34 -40.88 90.12 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 177.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.56 -43.69 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.938 -0.574 . . . . 50.0 111.007 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -67.86 -39.11 83.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.077 0.465 . . . . 50.0 111.798 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.7 m -76.46 -26.34 55.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.444 -0.343 . . . . 25.0 111.668 -177.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.79 12.72 80.85 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.469 -0.396 . . . . 25.0 114.045 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.77 132.68 19.62 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 107.321 -1.363 . . . . 50.0 107.321 -176.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.04 131.03 43.46 Favored 'Trans proline' 0 C--N 1.352 0.729 0 N-CA-C 116.504 1.694 . . . . 50.0 116.504 -176.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.82 64.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.718 -1.128 . . . . 25.0 109.792 176.361 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.45 65.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 25.0 112.186 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -98.5 22.43 9.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.925 0.393 . . . . 50.0 110.575 -179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.4 p -142.86 178.47 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.165 1.172 . . . . 50.0 114.165 -174.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -129.63 144.5 51.31 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 106.749 -1.575 . . . . 50.0 106.749 174.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -126.23 132.51 70.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 26.5 m -129.88 152.95 38.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 123.079 0.552 . . . . 50.0 109.862 -175.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -133.81 131.59 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.89 -1.893 . . . . 50.0 105.89 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.75 43.2 28.14 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.168 0.509 . . . . 25.0 110.568 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.47 16.06 7.22 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.066 1.876 . . . . 50.0 116.066 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -125.09 142.33 40.98 Favored Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.51 148.46 42.62 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 116.639 -1.774 . . . . 50.0 114.948 -173.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.93 67.77 3.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.15 -1.055 . . . . 50.0 108.15 178.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 12.6 p -72.32 -32.43 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -85.8 88.67 7.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.103 0.477 . . . . 25.0 110.422 -175.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -66.97 -16.45 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.881 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -72.0 -23.94 61.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.994 -0.548 . . . . 50.0 111.754 178.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -75.65 150.44 37.96 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.793 -0.567 . . . . 50.0 110.386 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 90.3 p -81.94 164.72 21.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.3 -1.37 . . . . 50.0 107.3 170.275 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.44 -35.21 80.18 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.385 0.612 . . . . 50.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.46 -30.13 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.716 177.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.7 m -71.42 -16.69 62.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.822 0.344 . . . . 50.0 111.671 177.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.06 -9.84 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.033 0.445 . . . . 50.0 110.096 174.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 21.67 63.95 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -176.381 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.81 86.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.973 0.892 . . . . 50.0 111.157 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.78 156.56 38.12 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 114.833 -1.076 . . . . 50.0 111.38 178.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -59.62 129.78 43.62 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.703 -1.221 . . . . 50.0 107.703 174.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.62 -15.05 58.87 Favored Glycine 0 C--O 1.23 -0.15 0 CA-C-N 115.607 -0.724 . . . . 25.0 113.571 -176.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -66.94 153.79 42.7 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 118.048 0.924 . . . . 50.0 110.987 178.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 20.6 t -116.38 133.47 62.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-N 115.379 -0.828 . . . . 50.0 109.795 -178.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.75 154.54 12.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 N-CA-C 106.614 -1.624 . . . . 50.0 106.614 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 81.2 mt -121.96 123.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.133 -1.062 . . . . 50.0 108.133 -174.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.5 tt -109.72 127.39 54.57 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.184 -1.414 . . . . 50.0 107.184 179.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -108.18 106.45 16.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.42 0.629 . . . . 50.0 109.449 -178.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 124.155 1.931 . . . . 50.0 112.884 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 124.578 2.133 . . . . 25.0 112.787 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.78 164.67 37.86 Favored Glycine 0 C--N 1.333 0.385 0 CA-C-N 113.61 -1.632 . . . . 25.0 109.935 177.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -153.24 136.67 15.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 -179.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -133.21 132.72 41.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 179.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -103.61 -39.97 6.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.149 -177.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.7 m80 61.41 -165.12 0.23 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.78 0.832 . . . . 25.0 110.285 -175.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -154.32 176.59 12.12 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.105 -1.813 . . . . 25.0 106.105 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -146.59 171.34 15.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.543 -2.392 . . . . 25.0 104.543 176.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -155.45 153.17 29.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 177.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -119.51 149.6 41.63 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -179.142 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -140.36 168.15 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -176.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -152.32 171.89 17.3 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 104.691 -2.337 . . . . 25.0 104.691 176.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.5 p -146.08 156.15 43.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 177.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p -157.38 165.86 34.63 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 179.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.86 147.17 10.23 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 105.606 -2.998 . . . . 25.0 105.606 176.342 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -167.82 175.37 6.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.228 -1.767 . . . . 25.0 106.228 -177.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.1 mt 73.46 170.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 178.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 66.99 6.72 4.87 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.774 1.23 . . . . 25.0 112.582 -175.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.61 179.16 51.46 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 109.8 -1.32 . . . . 25.0 109.8 173.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -105.69 108.28 19.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.32 -0.518 . . . . 25.0 110.663 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.94 179.12 9.43 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 177.279 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 41.9 mtm -130.57 149.19 52.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.696 -1.224 . . . . 50.0 107.696 173.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.1 tp -111.82 130.2 55.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.199 -1.408 . . . . 50.0 107.199 175.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -124.12 144.76 49.7 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.0 m -94.22 139.57 30.87 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 178.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.0 t -125.12 130.26 73.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.59 113.0 22.1 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 177.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.0 m -103.17 116.58 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.903 0.382 . . . . 25.0 110.12 -177.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.07 114.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.057 0.456 . . . . 50.0 111.98 -177.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -84.61 147.18 27.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.884 -1.895 . . . . 50.0 105.884 169.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -68.7 -9.31 49.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.552 0.691 . . . . 25.0 110.207 175.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.83 17.31 13.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.869 1.268 . . . . 50.0 111.691 -177.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.4 mt 58.65 15.65 3.82 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.35 26.14 0.8 Allowed 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.047 0.939 . . . . 25.0 112.03 177.361 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -72.49 150.4 43.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.551 -0.75 . . . . 50.0 112.379 -166.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.07 158.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.867 -1.16 . . . . 50.0 107.867 -171.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -137.11 149.59 47.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 175.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -157.93 177.53 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 105.313 -2.106 . . . . 50.0 105.313 -177.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.9 p -127.21 149.86 49.8 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.4 mt -125.44 147.19 49.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.791 -0.448 . . . . 50.0 109.791 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -102.93 131.89 49.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 177.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.86 178.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.173 -1.047 . . . . 50.0 108.173 -173.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -111.51 169.71 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.249 -1.389 . . . . 50.0 107.249 171.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.38 90.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.29 -0.1 56.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.133 0.42 . . . . 50.0 112.133 -176.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -60.49 128.98 39.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.245 0.545 . . . . 50.0 110.946 -177.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.06 150.46 47.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 50.0 112.308 -175.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.07 -29.18 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.574 -0.284 . . . . 50.0 111.032 175.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -61.65 -48.2 81.94 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.368 -0.605 . . . . 50.0 109.368 177.564 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -73.63 -30.03 62.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 50.0 110.685 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.72 -47.6 77.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.08 -0.388 . . . . 50.0 110.899 177.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -68.88 -27.97 66.27 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 119.678 -0.809 . . . . 50.0 110.087 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.72 90.26 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 176.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.25 -41.01 94.72 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 177.081 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.7 t -61.96 -44.76 96.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 50.0 111.098 178.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -35.8 82.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.396 -0.19 . . . . 25.0 111.295 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.609 -0.268 . . . . 50.0 110.396 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.12 -40.41 82.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.342 0.592 . . . . 50.0 110.849 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.0 t -79.35 -27.24 41.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.43 33.08 40.27 Favored Glycine 0 C--N 1.329 0.164 0 C-N-CA 121.064 -0.589 . . . . 25.0 113.24 176.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.8 pt -120.47 154.39 56.66 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.009 0.744 . . . . 50.0 113.009 -174.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.96 134.54 27.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 116.988 -1.541 . . . . 50.0 112.259 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.99 68.75 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.56 -27.38 66.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.692 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -97.04 6.41 48.64 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.325 -0.398 . . . . 50.0 111.891 -174.192 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.6 p -127.56 150.93 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.479 1.288 . . . . 50.0 114.479 -174.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -132.87 135.48 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.478 -1.304 . . . . 50.0 107.478 177.659 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -109.61 130.93 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 -174.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.0 136.68 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.311 0.644 . . . . 50.0 111.623 -170.118 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -130.46 135.43 47.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.633 -0.877 . . . . 50.0 108.633 175.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 48.44 42.04 17.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.282 0.633 . . . . 25.0 112.395 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.92 25.44 15.42 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.379 1.622 . . . . 50.0 115.379 -177.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -130.22 134.63 26.33 Favored Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 121.35 -0.844 . . . . 25.0 108.767 171.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.61 146.4 54.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 116.133 -2.111 . . . . 50.0 110.664 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.59 63.96 7.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.33 0.586 . . . . 50.0 109.791 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -71.07 -30.43 66.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -82.36 72.95 9.43 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 175.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -70.46 -12.89 61.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.347 -175.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.86 -5.95 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.873 0.368 . . . . 50.0 111.774 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -86.97 156.39 19.8 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.963 -0.755 . . . . 50.0 108.963 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 94.7 p -80.68 164.89 22.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.248 -0.433 . . . . 50.0 110.069 174.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.18 -39.48 92.82 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.176 0.512 . . . . 50.0 110.974 177.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.97 -30.18 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 25.0 111.463 176.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.0 m -70.12 -16.58 63.13 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.163 0.431 . . . . 50.0 112.163 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -102.0 -8.99 21.02 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.699 -0.482 . . . . 50.0 109.699 175.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 88.03 20.54 49.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-O 119.503 -0.61 . . . . 25.0 113.942 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.4 84.76 1.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.242 1.021 . . . . 50.0 110.913 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.44 161.97 30.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.161 -0.927 . . . . 50.0 111.026 177.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.1 131.09 44.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.409 -0.589 . . . . 50.0 109.409 173.269 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.87 -8.98 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.96 -0.564 . . . . 25.0 114.007 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.45 167.42 21.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.783 0.792 . . . . 50.0 110.533 179.137 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.4 p -130.59 140.6 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.786 0.803 . . . . 50.0 113.096 -173.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.12 139.46 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.2 mt -112.79 127.36 70.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.915 . . . . 50.0 108.528 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -114.2 141.84 47.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.268 -1.382 . . . . 50.0 107.268 177.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -123.7 130.2 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.85 -0.426 . . . . 50.0 109.85 175.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 123.699 1.714 . . . . 50.0 111.064 179.716 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 59.0 tpp . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 122.64 1.209 . . . . 25.0 113.193 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.2 -169.03 39.37 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 121.563 -0.711 . . . . 25.0 111.689 -177.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -152.04 140.92 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.134 -1.432 . . . . 25.0 107.134 -179.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -156.66 164.61 37.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.81 0.277 . . . . 25.0 110.634 -177.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 63.29 173.7 0.16 Allowed 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.539 1.136 . . . . 25.0 113.907 176.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 50.84 40.26 24.33 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 177.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -98.65 171.11 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.178 0.514 . . . . 25.0 111.539 -177.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -71.16 161.69 30.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.267 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -114.97 -76.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 25.0 110.673 178.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -158.02 175.41 13.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.998 -1.852 . . . . 25.0 105.998 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -93.62 170.06 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 176.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -139.61 160.79 39.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.508 -1.664 . . . . 25.0 106.508 177.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -128.03 -174.63 3.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.6 p -137.5 161.8 35.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 178.05 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.78 -141.25 3.48 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 108.958 -1.657 . . . . 25.0 108.958 -176.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 58.84 43.66 17.94 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.452 0.701 . . . . 25.0 112.36 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 pt -73.33 161.07 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 174.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.35 163.21 12.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.41 -0.359 . . . . 25.0 111.35 -177.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.81 156.79 27.46 Favored Glycine 0 C--O 1.223 -0.547 0 N-CA-C 110.137 -1.185 . . . . 25.0 110.137 177.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.16 118.52 20.47 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 117.53 0.665 . . . . 25.0 110.398 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -143.93 166.65 24.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 177.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.5 mtm -133.0 166.75 21.68 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.8 -1.556 . . . . 50.0 106.8 175.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -126.47 130.15 50.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.697 -1.223 . . . . 50.0 107.697 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -122.42 145.9 47.86 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -100.03 138.85 36.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 178.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t -125.12 122.77 63.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -99.28 112.94 25.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 173.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.5 t -100.26 116.57 32.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -177.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.34 125.39 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.39 -0.967 . . . . 50.0 108.39 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -116.24 149.14 39.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.385 -0.969 . . . . 50.0 108.385 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 114.685 1.365 . . . . 25.0 114.685 -171.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.98 29.07 1.43 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.101 0.408 . . . . 50.0 112.101 -175.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt 58.77 25.38 13.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.508 1.123 . . . . 25.0 112.224 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.93 25.97 1.05 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.903 -1.044 . . . . 25.0 111.435 179.268 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.4 151.69 42.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 50.0 112.807 -170.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.78 161.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.582 -1.636 . . . . 50.0 106.582 -173.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -129.8 145.4 51.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 174.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -154.72 176.54 12.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.207 -1.405 . . . . 50.0 107.207 -176.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.5 m -131.5 151.15 51.81 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.352 -0.61 . . . . 50.0 109.352 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.0 148.41 49.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.421 0.451 . . . . 50.0 110.446 -177.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -98.25 128.76 44.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.169 -1.419 . . . . 50.0 107.169 176.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.67 171.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.205 -0.665 . . . . 50.0 109.205 -172.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -98.84 165.92 11.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.355 -1.35 . . . . 50.0 107.355 173.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.84 83.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.673 -0.642 . . . . 25.0 110.631 174.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -89.98 4.37 50.32 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.663 0.744 . . . . 50.0 111.893 -176.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -59.8 131.05 49.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.534 -0.913 . . . . 50.0 108.534 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.1 152.68 42.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.917 -0.401 . . . . 50.0 109.917 -177.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -30.72 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.46 -1.311 . . . . 50.0 107.46 172.444 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 50.0 110.857 173.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -75.3 -33.27 61.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.316 0.579 . . . . 50.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -63.22 -45.01 93.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.071 -0.393 . . . . 50.0 112.027 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -28.02 66.13 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 119.868 -0.733 . . . . 50.0 110.863 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.15 69.82 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.207 0.527 . . . . 25.0 109.819 176.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 tp -63.4 -41.67 98.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.527 0.679 . . . . 50.0 109.484 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.38 -39.39 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.753 -0.658 . . . . 50.0 111.629 177.056 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.92 -43.63 98.33 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.687 0.395 . . . . 25.0 110.05 179.131 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.12 -47.44 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.128 -0.487 . . . . 50.0 110.634 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.74 -37.11 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.356 0.598 . . . . 50.0 112.296 -177.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 38.1 m -80.74 -22.77 39.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.078 0.399 . . . . 25.0 112.078 -177.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.14 17.85 79.14 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 121.063 -0.589 . . . . 25.0 112.79 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -136.57 144.37 46.97 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -63.8 130.14 26.89 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 116.512 -1.859 . . . . 50.0 113.336 -179.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.65 -24.62 67.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.49 67.85 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.863 -0.608 . . . . 25.0 112.209 178.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -99.04 14.1 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.085 0.469 . . . . 50.0 110.895 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -138.88 164.58 29.3 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.654 . . . . 50.0 112.767 -175.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.74 129.44 56.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.777 -1.194 . . . . 50.0 107.777 175.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 12.7 tt -107.54 132.68 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.5 t -127.84 138.21 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.343 -0.844 . . . . 50.0 110.746 -169.205 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -135.89 134.56 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.342 -1.355 . . . . 50.0 107.342 176.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.98 44.29 28.56 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.213 0.53 . . . . 25.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 59.97 9.71 1.88 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.279 1.585 . . . . 50.0 115.279 -178.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -117.17 134.55 23.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 121.802 -0.561 . . . . 25.0 110.441 178.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 148.27 74.3 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 115.289 -2.674 . . . . 50.0 112.186 178.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.84 112.54 24.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.298 -1.371 . . . . 50.0 107.298 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 56.1 p -111.6 -26.32 9.09 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.536 1.31 . . . . 25.0 114.536 -174.056 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.73 95.13 9.71 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -177.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -67.07 -29.09 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -177.114 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.97 -10.02 59.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.276 0.56 . . . . 50.0 112.168 -177.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -72.78 142.63 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.055 -1.091 . . . . 50.0 108.055 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 86.5 p -79.46 166.89 21.52 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.826 -1.176 . . . . 50.0 107.826 172.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.22 -39.77 93.92 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.095 -0.378 . . . . 50.0 110.021 178.249 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.2 69.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.4 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.6 m -71.13 -18.37 62.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.244 0.461 . . . . 50.0 112.244 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -96.78 -10.58 26.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.214 -0.291 . . . . 50.0 110.214 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.43 20.82 63.47 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -174.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.67 77.21 4.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.941 0.877 . . . . 50.0 110.031 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -71.64 166.93 20.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.007 -1.451 . . . . 50.0 112.666 -178.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -59.25 131.36 50.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.366 -0.834 . . . . 50.0 108.926 172.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.16 70.48 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.203 -0.908 . . . . 25.0 113.079 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.24 167.22 20.57 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.418 1.109 . . . . 50.0 111.49 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.33 142.11 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.676 0.621 . . . . 50.0 112.676 -172.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 162.65 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.643 -0.873 . . . . 50.0 108.643 176.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 122.41 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.671 -0.863 . . . . 50.0 108.671 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -104.61 133.93 48.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.264 -1.384 . . . . 50.0 107.264 177.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -127.02 115.89 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 50.0 111.206 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 125.235 2.445 . . . . 50.0 110.501 176.234 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 122.74 1.257 . . . . 25.0 113.634 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.61 6.16 88.81 Favored Glycine 0 C--N 1.342 0.881 0 O-C-N 121.278 -0.889 . . . . 25.0 112.505 -179.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -142.46 156.01 45.13 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 179.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -138.78 143.66 39.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.807 -1.553 . . . . 25.0 106.807 179.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 m80 50.31 44.88 26.5 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.779 0.675 . . . . 25.0 112.509 179.54 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -64.02 140.02 58.83 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -65.01 159.82 22.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.49 . . . . 25.0 110.382 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -133.17 168.68 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 -179.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -152.79 178.05 10.05 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 179.39 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -143.22 156.59 44.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.126 -1.435 . . . . 25.0 107.126 174.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -159.59 174.99 13.76 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.526 -1.657 . . . . 25.0 106.526 -179.659 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -123.16 149.01 45.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.58 -1.637 . . . . 25.0 106.58 176.073 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.5 p -153.21 -178.85 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -177.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.4 p -146.91 167.6 23.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 104.0 -2.593 . . . . 25.0 104.0 176.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.68 -77.43 0.23 Allowed Glycine 0 C--O 1.222 -0.646 0 C-N-CA 121.037 -0.601 . . . . 25.0 113.692 -176.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 55.77 39.07 30.77 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.603 0.716 . . . . 25.0 111.79 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.2 mm -82.33 119.47 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.56 138.48 46.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.173 0.511 . . . . 25.0 111.858 -178.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.3 11.38 60.03 Favored Glycine 0 C--O 1.226 -0.359 0 CA-C-N 115.608 -0.724 . . . . 25.0 112.402 -179.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.24 56.38 3.28 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 -174.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -90.22 176.24 6.83 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 104.468 -2.419 . . . . 25.0 104.468 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -125.95 167.02 15.85 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.255 -0.276 . . . . 50.0 110.255 -176.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.7 tp -112.6 133.53 54.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.555 -0.293 . . . . 50.0 111.028 -177.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.89 145.43 48.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.896 -1.149 . . . . 50.0 107.896 174.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.2 m -99.04 140.41 33.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.04 130.17 73.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.628 -0.878 . . . . 50.0 108.628 -178.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.03 114.22 25.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.575 ' HG ' ' HB2' ' A' ' 138' ' ' SER . 48.1 t -97.5 130.91 44.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -179.208 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.9 t -119.16 131.96 70.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.173 0.511 . . . . 50.0 111.518 -177.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -113.5 152.42 30.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.209 -1.404 . . . . 50.0 107.209 172.458 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -20.39 66.2 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.046 0.45 . . . . 25.0 110.82 174.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -91.1 16.99 8.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.323 -0.853 . . . . 50.0 111.723 -177.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.3 mt 54.49 26.82 7.56 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 179.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.63 25.57 1.23 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.91 0.884 . . . . 25.0 110.093 176.69 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.64 149.07 44.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 50.0 112.131 -169.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.08 157.85 5.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 107.345 -1.354 . . . . 50.0 107.345 -172.049 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -134.82 149.37 50.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 175.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -157.05 175.73 13.69 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.298 -2.112 . . . . 50.0 105.298 -176.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.19 152.11 49.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.656 -0.868 . . . . 50.0 108.656 178.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.2 mt -128.91 147.65 50.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 50.0 110.097 -177.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -99.53 129.32 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.956 -1.498 . . . . 50.0 106.956 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.73 156.27 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.223 -0.658 . . . . 50.0 109.223 -174.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.08 163.57 20.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.639 -0.874 . . . . 50.0 108.639 176.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.48 91.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.27 0.557 . . . . 25.0 109.938 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -92.71 11.78 25.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.543 0.687 . . . . 50.0 112.318 -177.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -64.6 138.33 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.82 144.76 55.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.794 0.294 . . . . 50.0 111.794 -177.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.31 -34.6 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.465 -0.939 . . . . 50.0 108.465 172.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -56.54 -48.32 77.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.419 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.23 -30.81 54.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.478 -0.328 . . . . 50.0 110.753 -177.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.12 -50.35 72.26 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.064 -0.397 . . . . 50.0 110.471 177.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -66.48 -31.69 72.58 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 119.78 -0.768 . . . . 50.0 110.155 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.83 98.63 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.206 0.457 . . . . 25.0 109.86 178.273 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.18 -37.25 80.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.138 -0.319 . . . . 50.0 110.138 176.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.618 -0.512 . . . . 50.0 109.618 176.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -30.99 69.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.881 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.69 -47.29 75.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.681 0.277 . . . . 50.0 110.603 178.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -73.0 -34.35 66.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 50.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.575 ' HB2' ' HG ' ' A' ' 107' ' ' CYS . 72.1 p -83.02 -30.86 27.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -178.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.2 30.78 40.56 Favored Glycine 0 CA--C 1.513 -0.044 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.913 173.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -114.43 152.76 46.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 122.531 -0.394 . . . . 50.0 110.582 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.76 130.18 25.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 117.037 -1.509 . . . . 50.0 112.88 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -178.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.91 58.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 -178.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -120.58 22.95 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 50.0 111.104 -173.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.9 t -144.95 159.22 43.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.849 0.356 . . . . 50.0 111.128 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -132.91 152.64 51.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 173.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.1 tt -115.41 133.35 61.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 -178.05 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -122.97 135.11 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.516 -0.766 . . . . 50.0 110.875 -170.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -137.94 137.59 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.796 -1.187 . . . . 50.0 107.796 178.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.11 41.17 27.26 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.192 0.52 . . . . 25.0 110.753 -176.434 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.9 12.74 3.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.385 1.624 . . . . 50.0 115.385 -178.212 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -119.3 141.33 30.41 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 178.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.11 147.62 48.87 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 115.505 -2.53 . . . . 50.0 111.535 178.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.21 110.91 22.3 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.515 -1.661 . . . . 50.0 106.515 176.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 66.9 p -106.94 -34.83 7.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -173.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -81.99 98.79 8.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.791 0.805 . . . . 25.0 109.276 -175.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.31 -25.82 67.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.006 -176.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.6 -0.45 42.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.34 1.237 . . . . 50.0 114.34 -175.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -91.45 151.51 20.77 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 178.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.5 p -83.85 167.1 17.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.593 -0.892 . . . . 50.0 108.593 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 71.7 mt -68.41 -32.86 73.2 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.988 -0.445 . . . . 50.0 111.034 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.509 174.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 43.7 m -70.78 -16.54 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.788 0.292 . . . . 50.0 111.788 178.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -100.79 -7.26 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.033 -0.358 . . . . 50.0 110.033 176.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.57 22.07 70.78 Favored Glycine 0 C--O 1.239 0.465 0 C-N-CA 121.112 -0.566 . . . . 25.0 111.88 -176.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.93 81.41 1.67 Allowed 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.414 0.626 . . . . 50.0 110.561 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -74.32 164.0 27.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.251 -0.886 . . . . 50.0 112.808 -177.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.47 126.59 22.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.703 -0.681 . . . . 50.0 110.475 173.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.13 -10.07 65.54 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 119.53 -0.595 . . . . 25.0 114.584 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -70.69 160.07 33.3 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 118.294 1.047 . . . . 50.0 109.665 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.96 141.09 47.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 115.833 -0.621 . . . . 50.0 110.207 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.9 160.49 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.886 -1.153 . . . . 50.0 107.886 177.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.57 113.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.292 0.567 . . . . 50.0 109.473 -177.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.18 127.48 35.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.598 -1.63 . . . . 50.0 106.598 178.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.26 110.64 12.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.953 -0.467 . . . . 50.0 111.911 -173.225 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 125.415 2.531 . . . . 50.0 110.775 174.961 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 123.712 1.72 . . . . 25.0 114.417 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.54 144.19 18.9 Favored Glycine 0 C--O 1.22 -0.73 0 N-CA-C 109.783 -1.327 . . . . 25.0 109.783 176.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.88 -45.2 71.6 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.969 0.384 . . . . 25.0 111.747 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t60 52.47 -106.42 0.28 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.446 -0.797 . . . . 25.0 110.878 -176.366 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -155.28 173.99 15.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 175.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -119.72 168.12 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 175.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -140.54 159.17 42.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 -177.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -76.41 178.4 6.59 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.061 0.458 . . . . 25.0 110.411 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -52.47 118.77 3.82 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -178.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.23 -7.64 56.25 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.831 1.049 . . . . 25.0 113.831 -177.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 58.38 -157.28 0.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 -173.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 55.26 35.83 25.74 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.653 0.739 . . . . 25.0 111.064 -174.204 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -68.72 156.62 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.169 -0.923 . . . . 25.0 110.656 178.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 m -65.26 149.95 49.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.701 0.286 . . . . 25.0 110.336 176.516 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.76 -165.41 40.82 Favored Glycine 0 C--O 1.221 -0.711 0 N-CA-C 110.185 -1.166 . . . . 25.0 110.185 177.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -63.56 -35.55 80.84 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 111.864 0.32 . . . . 25.0 111.864 178.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.0 mt 55.78 66.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-O 122.676 1.227 . . . . 25.0 108.626 -176.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.0 134.2 50.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.977 -1.011 . . . . 25.0 109.42 179.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.39 165.43 36.92 Favored Glycine 0 CA--C 1.506 -0.476 0 N-CA-C 108.764 -1.734 . . . . 25.0 108.764 179.296 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.35 105.47 16.72 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 -179.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -157.6 175.81 13.44 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 -179.039 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -136.14 160.6 38.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.329 -0.989 . . . . 50.0 108.329 178.201 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.7 tp -115.26 122.96 47.57 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 -177.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -112.03 152.8 27.74 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.333 -0.988 . . . . 50.0 108.333 177.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -107.93 134.87 50.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 177.28 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.39 126.41 71.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.697 -0.853 . . . . 50.0 108.697 -178.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -112.15 112.25 23.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -97.63 133.55 42.02 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.743 -0.465 . . . . 25.0 109.743 -177.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.06 132.66 70.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 N-CA-C 113.042 0.756 . . . . 50.0 113.042 -175.422 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -120.87 151.33 39.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.427 -2.064 . . . . 50.0 105.427 171.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -70.14 -23.55 63.02 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.077 0.465 . . . . 25.0 111.693 -177.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.47 18.67 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.952 -0.567 . . . . 50.0 111.705 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 mt 59.14 29.5 19.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.458 1.103 . . . . 25.0 112.221 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 m -88.81 25.23 1.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.25 -0.886 . . . . 25.0 109.276 175.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.38 150.01 43.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.827 -1.079 . . . . 50.0 111.309 -174.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.78 151.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.08 -1.081 . . . . 50.0 108.08 -174.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.8 t -128.37 146.23 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 177.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -155.41 174.19 15.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.634 -1.617 . . . . 50.0 106.634 -176.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m -129.99 151.88 50.06 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.279 -0.267 . . . . 50.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.4 mt -131.18 141.84 50.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 50.0 111.884 -176.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -97.57 115.77 28.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.972 -1.013 . . . . 50.0 108.42 177.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.8 163.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 -177.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -90.18 169.28 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.153 -1.054 . . . . 50.0 108.153 175.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.24 76.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.233 0.539 . . . . 25.0 111.63 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.26 3.1 53.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.345 . . . . 50.0 111.755 -176.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -55.18 133.55 49.15 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.134 0.492 . . . . 50.0 111.678 -177.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.43 144.45 54.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 50.0 112.008 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -27.12 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 50.0 110.959 172.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -66.95 -44.34 80.82 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 120.895 0.378 . . . . 50.0 110.018 179.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.05 -32.41 59.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.732 0.301 . . . . 50.0 110.768 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.04 -45.81 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.707 0.632 . . . . 50.0 112.707 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.31 -28.05 68.38 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.18 -0.608 . . . . 50.0 110.542 -179.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.54 66.07 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 176.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -37.92 89.24 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.352 0.596 . . . . 50.0 109.785 176.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 74.5 m -66.4 -37.1 84.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 50.0 110.909 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 178.138 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.6 -45.03 95.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.624 0.602 . . . . 50.0 112.624 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -70.06 -32.97 71.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 50.0 111.786 -178.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.0 p -92.2 -15.61 27.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -175.317 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.56 33.11 75.85 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 114.448 0.539 . . . . 25.0 114.448 177.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 24.9 pt -110.71 156.23 40.94 Favored Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.612 0.967 . . . . 50.0 113.612 -174.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -70.4 121.08 7.65 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 115.835 -2.31 . . . . 50.0 110.755 172.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.2 -36.8 76.0 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.819 -0.551 . . . . 25.0 112.171 -178.471 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.59 -24.7 67.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -177.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.95 15.62 28.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.76 0.314 . . . . 50.0 111.296 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.3 p -132.73 158.06 43.32 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.366 1.247 . . . . 50.0 114.366 -175.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -135.38 151.61 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.423 -0.808 . . . . 50.0 109.48 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -127.9 135.81 61.97 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-O 121.233 0.54 . . . . 25.0 110.396 -175.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.3 153.12 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.855 -0.612 . . . . 50.0 110.617 -176.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -140.66 137.52 33.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.931 -1.877 . . . . 50.0 105.931 178.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 37.8 23.95 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.389 0.614 . . . . 25.0 110.064 -174.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 58.14 22.64 9.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.478 1.288 . . . . 50.0 114.478 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -125.04 145.58 50.79 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 179.043 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.22 146.87 52.37 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 116.951 -1.566 . . . . 50.0 114.798 -175.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.6 mt -103.25 96.76 6.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.185 -0.916 . . . . 50.0 108.621 178.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 39.2 p -112.3 -43.1 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.596 1.702 . . . . 25.0 115.596 -174.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.5 113.72 3.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 -168.173 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -73.82 -7.46 52.3 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 170.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -82.45 3.54 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 48.9 mtt85 -128.67 143.64 50.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.484 0.659 . . . . 50.0 112.59 -178.091 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 67.1 p -88.16 169.65 11.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.943 -1.503 . . . . 50.0 106.943 171.271 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.43 -35.76 81.1 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-O 121.317 0.579 . . . . 50.0 110.862 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.82 69.41 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 121.953 -0.467 . . . . 25.0 111.516 175.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.6 t -70.05 -17.62 63.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.158 0.429 . . . . 50.0 112.158 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -95.78 -7.67 36.5 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.674 -0.491 . . . . 50.0 109.674 175.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.55 21.35 62.2 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.196 -0.762 . . . . 25.0 111.196 -175.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.55 85.7 0.87 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.331 0.565 . . . . 50.0 109.532 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.15 165.34 19.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.634 -0.712 . . . . 50.0 111.945 -178.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.03 126.8 27.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 174.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.74 -12.03 59.36 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.217 -0.902 . . . . 25.0 114.521 -179.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.45 150.46 48.9 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 118.42 1.11 . . . . 50.0 111.46 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.01 125.29 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 50.0 110.003 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.6 t -107.07 140.81 23.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 106.386 -1.709 . . . . 50.0 106.386 179.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.8 mt -111.95 130.03 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.279 -1.008 . . . . 50.0 108.279 -178.088 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.14 134.53 55.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.244 -1.391 . . . . 50.0 107.244 -179.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -123.61 127.95 48.99 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.663 -0.866 . . . . 50.0 108.663 179.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.812 0 CA-C-O 123.39 1.567 . . . . 50.0 109.595 176.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 122.502 1.144 . . . . 25.0 112.52 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.47 12.89 82.5 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 120.989 -1.069 . . . . 25.0 111.315 -176.241 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -69.34 137.27 52.77 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 122.924 0.489 . . . . 25.0 112.066 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -117.07 103.13 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 177.438 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -82.08 -23.06 35.99 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 116.743 2.127 . . . . 25.0 116.743 -170.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.0 m80 38.52 58.26 1.66 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.909 1.818 . . . . 25.0 115.909 178.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 55.98 55.35 7.0 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.647 0.737 . . . . 25.0 111.706 -179.134 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -55.73 118.57 4.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.321 -0.854 . . . . 25.0 111.789 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -119.29 160.97 21.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.056 -1.09 . . . . 25.0 108.056 177.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 57.42 -154.35 0.35 Allowed 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.923 0.764 . . . . 25.0 111.934 178.278 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -153.68 172.66 16.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.441 -2.429 . . . . 25.0 104.441 -178.472 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -109.41 -50.63 2.97 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.599 0.182 . . . . 25.0 111.149 178.088 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m 61.7 170.97 0.12 Allowed 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.693 0.998 . . . . 25.0 113.693 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.0 p -162.31 171.42 17.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.914 -1.884 . . . . 25.0 105.914 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.19 157.75 23.79 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 109.551 -1.42 . . . . 25.0 109.551 177.178 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -163.04 172.04 15.57 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.527 -2.027 . . . . 25.0 105.527 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.0 pt -120.99 163.2 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 176.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -107.22 -37.68 6.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 178.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.11 -171.73 50.7 Favored Glycine 0 C--O 1.214 -1.114 0 C-N-CA 121.307 -0.473 . . . . 25.0 113.212 175.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 55.36 27.4 9.93 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 114.494 1.294 . . . . 25.0 114.494 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -101.72 166.02 10.9 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 106.863 -1.532 . . . . 25.0 106.863 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -130.07 179.95 5.58 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 106.527 -1.656 . . . . 50.0 106.527 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.32 130.38 53.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 117.949 0.341 . . . . 50.0 111.225 -177.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.82 156.08 40.11 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.567 -0.901 . . . . 50.0 108.567 176.195 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.8 m -109.05 142.29 39.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 177.083 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.15 125.83 69.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.783 -0.821 . . . . 50.0 108.783 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -106.95 111.55 24.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 175.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.45 128.82 44.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.51 124.39 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.76 0.314 . . . . 50.0 110.814 -178.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.482 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 42.3 mtp180 -116.23 146.32 42.44 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.647 -1.612 . . . . 50.0 106.647 176.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -65.1 -14.54 60.76 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.069 0.461 . . . . 25.0 111.647 177.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.38 15.95 3.36 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 124.16 0.984 . . . . 50.0 112.667 -176.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.8 mt 56.05 25.71 9.2 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.331 1.052 . . . . 25.0 112.155 -176.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 18.4 m -99.36 25.87 6.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.966 -1.015 . . . . 25.0 109.203 -179.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -72.32 145.33 47.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.744 -0.662 . . . . 50.0 109.842 -174.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.19 150.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.287 -1.005 . . . . 50.0 108.287 -171.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -125.14 143.61 50.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 176.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.86 170.84 19.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.515 -1.661 . . . . 50.0 106.515 -176.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.8 m -126.09 149.27 49.02 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.709 -0.478 . . . . 50.0 109.709 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 mt -129.41 144.78 51.39 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.787 -0.642 . . . . 50.0 110.982 -176.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -96.19 124.99 40.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.34 -2.096 . . . . 50.0 105.34 173.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.57 155.36 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 107.805 -1.183 . . . . 50.0 107.805 -175.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.49 165.2 23.27 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.976 -0.69 . . . . 50.0 110.09 178.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.84 92.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.153 0.502 . . . . 25.0 109.939 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.38 14.56 25.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.23 0.538 . . . . 50.0 112.045 -176.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.87 128.49 37.13 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 107.627 -1.249 . . . . 50.0 107.627 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.86 152.56 37.18 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.212 -0.662 . . . . 50.0 109.212 -175.263 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.64 -29.59 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.93 -0.481 . . . . 50.0 110.67 176.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -57.62 -48.29 79.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.428 -0.582 . . . . 50.0 109.428 176.301 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -69.57 -37.69 77.09 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.396 -0.82 . . . . 50.0 111.371 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.571 0.582 . . . . 50.0 112.571 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -66.6 -36.89 83.71 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.117 0.484 . . . . 50.0 110.147 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.9 88.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.601 177.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.52 0.676 . . . . 50.0 110.463 178.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.54 -37.19 86.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 50.0 111.152 175.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.322 -0.622 . . . . 25.0 109.322 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 42.9 tp -60.46 -46.02 91.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 50.0 112.345 -177.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -73.81 -40.43 63.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.428 0.529 . . . . 50.0 112.428 -178.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.3 t -85.31 -18.32 34.21 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -173.536 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.05 29.19 74.23 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.369 -0.443 . . . . 25.0 113.888 -179.4 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -129.57 142.48 45.42 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 122.25 -0.559 . . . . 50.0 111.168 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.44 119.26 6.26 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 116.73 -1.713 . . . . 50.0 112.572 177.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.87 67.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.38 73.99 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -88.17 13.91 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.039 0.447 . . . . 50.0 110.94 -177.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.4 m -137.31 159.2 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.752 0.649 . . . . 50.0 112.752 -173.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 141.85 48.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.14 -1.059 . . . . 50.0 108.14 175.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -117.06 138.51 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -177.018 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.0 p -141.54 144.39 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.412 0.685 . . . . 50.0 109.919 -173.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -148.12 137.25 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.971 -1.492 . . . . 50.0 106.971 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.33 42.68 26.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.98 0.419 . . . . 25.0 110.689 -176.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 59.88 9.72 1.83 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.303 1.594 . . . . 50.0 115.303 -179.03 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -116.93 141.57 28.51 Favored Pre-proline 0 N--CA 1.467 0.406 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.265 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.44 152.05 60.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 116.236 -2.042 . . . . 50.0 113.177 -176.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.5 mt -108.93 49.62 0.81 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 177.502 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -94.59 -11.66 29.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.46 -0.791 . . . . 25.0 112.307 -176.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.73 85.83 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.734 0.778 . . . . 25.0 108.938 178.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -62.71 -12.99 27.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 115.308 1.596 . . . . 25.0 115.308 -172.141 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -85.81 8.54 19.63 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.793 1.405 . . . . 50.0 114.793 -174.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -120.49 151.54 39.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.832 -0.542 . . . . 50.0 110.968 -179.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.4 p -85.11 163.21 18.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.41 0.444 . . . . 50.0 110.411 177.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.06 -32.96 73.66 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 121.515 0.674 . . . . 50.0 112.209 -175.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -30.06 70.18 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.545 174.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.1 m -68.5 -16.51 63.91 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.394 0.516 . . . . 50.0 112.394 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -100.41 -4.56 28.73 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.717 -0.475 . . . . 50.0 109.717 177.025 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.08 59.1 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.43 -1.068 . . . . 25.0 110.43 -176.097 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.42 85.41 1.5 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.721 0.772 . . . . 50.0 109.878 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.57 160.86 30.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.625 -1.171 . . . . 50.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.41 128.63 38.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.715 -0.846 . . . . 50.0 108.715 173.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.18 -10.54 63.63 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.506 -0.77 . . . . 25.0 114.217 -178.278 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -70.71 153.66 42.59 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 118.357 1.078 . . . . 50.0 109.35 176.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.83 137.66 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 50.0 109.77 -178.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.24 161.19 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.439 -1.319 . . . . 50.0 107.439 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.5 mt -123.93 133.15 70.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.026 -1.102 . . . . 50.0 108.026 -178.324 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.7 tt -119.65 134.62 55.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.425 -1.694 . . . . 50.0 106.425 176.38 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -126.16 128.46 47.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.113 0.483 . . . . 50.0 110.68 -179.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 125.666 2.65 . . . . 50.0 110.849 177.596 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 57.2 mtt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 122.895 1.331 . . . . 25.0 113.599 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.56 167.18 38.0 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 114.975 -1.012 . . . . 25.0 111.375 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -159.11 167.45 29.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.013 -1.477 . . . . 25.0 107.013 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -153.93 152.12 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 177.214 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -146.63 118.21 8.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 178.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.06 145.46 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 177.09 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -155.17 140.0 17.19 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.854 -1.165 . . . . 25.0 107.854 178.004 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -153.75 139.86 18.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -143.96 165.1 28.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.357 -1.72 . . . . 25.0 106.357 172.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -147.45 160.79 42.18 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 102.999 -2.963 . . . . 25.0 102.999 175.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -146.38 153.23 40.26 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -172.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -145.62 155.27 42.92 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.4 m -137.19 150.41 47.88 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 179.081 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.6 t -152.43 167.29 29.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 105.129 -2.174 . . . . 25.0 105.129 -179.244 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 152.17 46.63 0.02 OUTLIER Glycine 0 C--O 1.217 -0.952 0 C-N-CA 121.032 -0.604 . . . . 25.0 113.357 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -144.2 167.77 21.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 55.2 mt 78.28 96.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 125.754 1.622 . . . . 25.0 110.771 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -91.62 -8.05 48.34 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.133 -0.94 . . . . 25.0 110.258 178.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.06 -164.9 13.7 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 110.284 -1.127 . . . . 25.0 110.284 -177.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.93 37.74 0.1 Allowed 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 121.428 0.632 . . . . 25.0 110.438 177.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -149.31 174.63 12.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 104.345 -2.465 . . . . 25.0 104.345 -178.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -123.73 -180.0 4.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.253 -0.647 . . . . 50.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -131.68 130.55 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.864 -0.791 . . . . 50.0 108.864 -177.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -122.95 147.73 46.28 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 177.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 37.9 m -100.27 144.21 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.2 t -125.04 129.28 73.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.468 -1.308 . . . . 50.0 107.468 179.195 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -113.72 106.89 15.03 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.207 -1.034 . . . . 25.0 108.207 176.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 t -96.33 128.08 42.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.63 131.59 70.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.757 0 CA-C-O 121.594 0.711 . . . . 50.0 111.591 -175.042 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -122.62 143.75 49.56 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.938 -1.504 . . . . 50.0 106.938 173.133 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -66.52 -12.94 60.06 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.376 0.509 . . . . 25.0 112.376 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.02 19.2 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.728 -0.669 . . . . 50.0 109.911 -178.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt 54.58 28.78 10.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.677 1.191 . . . . 25.0 112.435 -178.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.56 24.88 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.443 174.514 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.15 147.84 46.24 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 50.0 110.415 -174.071 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.81 149.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 107.054 -1.461 . . . . 50.0 107.054 -174.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -132.19 144.5 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -155.38 175.33 14.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.818 -1.919 . . . . 50.0 105.818 -174.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -129.41 154.3 47.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.983 0.356 . . . . 50.0 110.052 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.7 mt -128.67 144.02 51.07 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.003 0.43 . . . . 50.0 111.575 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -90.89 126.82 36.16 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.928 -1.508 . . . . 50.0 106.928 176.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.42 161.43 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.014 -0.736 . . . . 50.0 109.014 -174.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -90.92 171.31 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 176.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.29 68.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.579 0.704 . . . . 25.0 110.771 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -87.35 1.66 52.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.769 . . . . 50.0 110.881 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.51 130.05 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 50.0 109.715 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.75 151.92 43.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.618 0.247 . . . . 50.0 111.058 -177.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.0 -31.39 72.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.25 0.548 . . . . 50.0 109.961 172.006 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -60.1 -42.17 94.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 50.0 110.523 178.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -78.14 -35.23 49.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.823 0.82 . . . . 50.0 110.175 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.98 -45.15 95.94 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.901 -0.499 . . . . 50.0 111.928 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -68.58 -24.97 64.66 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.217 -0.593 . . . . 50.0 112.074 178.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.83 69.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 176.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.09 -43.3 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.79 -0.569 . . . . 50.0 111.629 177.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -70.92 -25.78 62.91 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.206 -0.998 . . . . 50.0 111.388 -178.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.39 -49.73 65.84 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 175.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.72 -47.02 87.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.504 -0.771 . . . . 50.0 111.992 -178.452 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -69.45 -38.12 77.65 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.832 0.679 . . . . 50.0 112.832 -177.169 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.2 t -89.22 -16.06 32.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.654 0.983 . . . . 25.0 113.654 -176.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.58 31.74 77.06 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.282 -0.485 . . . . 25.0 113.9 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 pp -124.84 135.18 26.39 Favored Pre-proline 0 N--CA 1.468 0.463 0 O-C-N 122.372 -0.487 . . . . 50.0 110.519 -179.418 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.04 129.7 29.73 Favored 'Trans proline' 0 C--O 1.241 0.634 0 C-N-CA 116.82 -1.653 . . . . 50.0 114.268 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.43 -27.6 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.528 . . . . 25.0 111.743 179.086 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -178.688 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -101.79 9.48 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.988 0.366 . . . . 50.0 111.988 -174.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 m -136.97 152.49 50.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.909 1.077 . . . . 50.0 113.909 -173.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -116.34 148.32 40.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.113 -0.494 . . . . 50.0 109.785 -178.654 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.1 tt -126.2 136.58 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.304 0.573 . . . . 25.0 110.829 -176.197 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.9 p -141.7 144.79 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-N 115.782 -0.645 . . . . 50.0 109.577 -173.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -142.62 138.56 30.8 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.218 -1.03 . . . . 50.0 108.218 179.028 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.15 39.88 24.54 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.691 0.758 . . . . 25.0 111.433 -178.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 57.41 20.95 6.39 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.677 -1.147 . . . . 50.0 113.962 -178.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -125.11 143.6 44.7 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 175.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.43 146.33 49.92 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 116.582 -1.812 . . . . 50.0 113.015 -176.191 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 48.1 mt -96.49 64.13 2.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.422 -1.325 . . . . 50.0 107.422 177.015 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.6 p -96.59 -22.57 16.97 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 115.557 1.688 . . . . 25.0 115.557 -173.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.73 76.16 10.24 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 -177.64 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.21 -11.3 20.09 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 115.159 1.54 . . . . 25.0 115.159 -171.293 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.27 -7.19 58.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.542 . . . . 50.0 112.465 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -94.59 152.84 18.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.956 -0.465 . . . . 50.0 111.295 -178.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 80.7 p -79.98 161.58 25.39 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.054 -0.721 . . . . 50.0 109.054 174.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 45.6 mt -65.15 -34.9 79.5 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 121.123 0.487 . . . . 50.0 110.983 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.43 68.74 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.375 175.225 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.1 m -70.32 -16.71 63.03 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.253 0.464 . . . . 50.0 112.253 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -99.08 -3.63 34.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.951 0.405 . . . . 50.0 110.018 176.338 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 75.9 25.48 66.86 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.511 -1.036 . . . . 25.0 110.511 -175.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.2 86.28 3.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.591 -0.892 . . . . 50.0 108.591 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -81.6 166.81 19.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.16 -0.927 . . . . 50.0 110.506 179.015 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.96 127.9 34.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.829 -0.623 . . . . 50.0 110.711 178.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.4 -14.57 62.09 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.331 -0.85 . . . . 25.0 113.059 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -67.43 148.72 51.2 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 118.036 0.918 . . . . 50.0 109.383 178.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -120.05 134.92 62.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 CA-C-N 115.56 -0.745 . . . . 50.0 110.836 -175.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 14.9 m -110.51 159.01 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 107.63 -1.248 . . . . 50.0 107.63 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.4 mt -118.38 131.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 -178.709 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.6 tt -117.07 132.53 56.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.101 -1.814 . . . . 50.0 106.101 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.23 125.44 41.0 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.091 -0.381 . . . . 50.0 110.245 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 124.193 1.949 . . . . 50.0 111.036 177.188 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 123.959 1.838 . . . . 25.0 114.189 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.09 -167.59 12.36 Favored Glycine 0 C--N 1.34 0.759 0 N-CA-C 110.009 -1.236 . . . . 25.0 110.009 -177.646 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -94.08 141.07 28.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 179.136 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -71.76 -14.68 62.07 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.748 1.018 . . . . 25.0 113.748 -175.34 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -120.8 140.89 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.035 -0.416 . . . . 25.0 111.157 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -91.39 162.94 14.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 177.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -149.15 143.0 25.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.741 0.305 . . . . 25.0 111.438 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -148.97 140.61 23.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 104.171 -2.529 . . . . 25.0 104.171 171.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -110.99 157.75 19.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.649 0.262 . . . . 25.0 110.853 -177.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -116.89 98.65 6.61 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 177.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -86.73 154.91 20.6 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.066 -1.086 . . . . 25.0 108.066 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -116.08 161.42 18.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 178.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.5 m -84.97 141.89 30.02 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.442 -0.947 . . . . 25.0 108.442 175.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m -119.59 4.7 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.186 0.439 . . . . 25.0 112.186 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.09 -178.22 47.4 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 109.327 -1.509 . . . . 25.0 109.327 -177.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -74.46 157.05 36.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.039 0.42 . . . . 25.0 110.15 179.006 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 pt -121.23 0.2 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 122.352 1.072 . . . . 25.0 108.61 177.006 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -76.64 158.43 31.08 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.463 -1.244 . . . . 25.0 108.97 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.04 -146.88 17.0 Favored Glycine 0 C--O 1.227 -0.288 0 N-CA-C 108.581 -1.808 . . . . 25.0 108.581 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 63.09 26.11 15.24 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.375 1.07 . . . . 25.0 113.29 177.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -105.0 163.27 12.66 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 106.109 -1.811 . . . . 25.0 106.109 177.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -129.76 172.08 12.01 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.298 -1.001 . . . . 50.0 108.298 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -121.86 134.03 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.7 mt -122.37 152.0 40.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.767 -1.197 . . . . 50.0 107.767 176.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 m -103.37 135.82 44.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 176.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.36 122.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.166 -1.05 . . . . 50.0 108.166 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -107.78 113.0 25.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.506 -0.77 . . . . 25.0 109.093 -179.096 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.6 125.36 42.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.96 128.44 74.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-O 121.231 0.539 . . . . 50.0 110.842 -176.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -114.7 147.12 40.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 105.653 -1.98 . . . . 50.0 105.653 172.248 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -59.15 -29.21 67.26 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.124 0.786 . . . . 25.0 113.124 -175.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.94 22.24 1.74 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.668 -0.697 . . . . 50.0 112.714 -176.349 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt 55.33 34.09 22.13 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.463 1.105 . . . . 25.0 112.108 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 m -92.8 26.08 2.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.381 -1.281 . . . . 25.0 108.904 176.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.51 151.98 42.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.44 -1.254 . . . . 50.0 112.843 -170.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -149.55 150.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.687 -1.227 . . . . 50.0 107.687 -176.144 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 t -128.42 144.18 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 177.081 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -153.04 174.26 14.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.297 -1.742 . . . . 50.0 106.297 -176.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -128.8 150.8 50.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.83 -0.433 . . . . 50.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.39 143.68 50.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.131 -0.486 . . . . 50.0 110.417 -178.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -103.95 125.05 50.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.31 -1.367 . . . . 50.0 107.31 178.407 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.85 164.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.459 -0.571 . . . . 50.0 109.459 -172.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -80.3 159.04 25.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.357 -1.349 . . . . 50.0 107.357 174.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.72 88.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 176.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -93.15 15.51 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.608 0.718 . . . . 50.0 112.306 -176.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.54 136.68 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.588 -0.893 . . . . 50.0 108.588 178.189 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.25 142.8 56.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.147 -0.345 . . . . 50.0 110.584 -178.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.8 -29.79 70.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.095 -1.076 . . . . 50.0 108.095 172.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.19 -48.32 79.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.489 175.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.23 -31.42 58.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.877 -0.329 . . . . 50.0 110.366 178.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.68 -42.87 99.85 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.714 0.635 . . . . 50.0 112.714 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -65.67 -31.83 73.06 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 119.843 -0.743 . . . . 50.0 110.659 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.0 -37.06 67.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.435 0.636 . . . . 25.0 109.912 177.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.84 -37.16 86.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.148 0.499 . . . . 50.0 110.117 178.472 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.27 -35.23 75.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.823 0.344 . . . . 50.0 110.628 176.311 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -37.26 86.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.954 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.96 -49.81 73.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.395 . . . . 50.0 110.579 178.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.29 -40.12 81.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.085 0.469 . . . . 50.0 112.146 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.0 t -84.89 -15.57 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.325 0.861 . . . . 25.0 113.325 -174.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.21 30.49 67.27 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.153 -0.546 . . . . 25.0 114.289 176.321 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.8 pt -135.44 147.05 60.27 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 109.319 -0.623 . . . . 50.0 109.319 -178.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.94 135.91 46.27 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 116.722 -1.719 . . . . 50.0 114.519 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.53 -29.26 70.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.367 0.603 . . . . 25.0 109.686 175.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.22 65.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.276 -179.343 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -102.64 11.36 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.893 0.331 . . . . 50.0 111.893 -176.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.5 p -130.25 157.79 41.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.613 0.721 . . . . 50.0 112.0 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -117.24 131.09 56.91 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.567 -0.901 . . . . 50.0 108.567 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.57 129.46 68.11 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.612 -0.722 . . . . 25.0 109.506 -176.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 66.3 t -132.76 138.71 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.811 0.844 . . . . 50.0 110.614 -169.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -139.38 140.11 37.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.128 -1.064 . . . . 50.0 108.128 176.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 42.95 24.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.219 0.608 . . . . 25.0 111.502 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 60.77 18.71 8.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.761 1.763 . . . . 50.0 115.761 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -130.25 140.09 37.61 Favored Pre-proline 0 N--CA 1.473 0.72 0 O-C-N 121.14 -0.975 . . . . 25.0 109.436 174.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.05 146.16 57.58 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 116.071 -2.152 . . . . 50.0 110.976 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.63 74.08 9.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.362 -0.977 . . . . 50.0 108.362 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 37.1 p -72.29 -35.69 68.75 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -174.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -82.69 98.79 9.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.393 0.616 . . . . 25.0 109.906 -173.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -70.85 -24.54 62.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.744 -178.129 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -73.0 -18.9 61.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 50.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.68 148.05 38.97 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.303 -0.629 . . . . 50.0 109.303 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -84.27 168.32 15.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 170.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.25 -35.37 80.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.918 -0.489 . . . . 50.0 110.8 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.25 71.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.826 175.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.9 m -70.69 -16.47 62.8 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.089 0.403 . . . . 50.0 112.089 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.16 -9.38 27.97 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.99 -0.374 . . . . 50.0 109.99 174.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.56 26.62 56.44 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.967 -0.853 . . . . 25.0 110.967 -175.208 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.69 82.05 2.66 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 121.695 0.759 . . . . 50.0 110.432 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -69.44 160.55 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.738 -1.119 . . . . 50.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -57.42 129.23 40.87 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.071 -0.968 . . . . 50.0 110.116 174.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.72 -9.89 73.04 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.045 -0.98 . . . . 25.0 113.702 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 162.26 28.68 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 118.336 1.068 . . . . 50.0 111.67 -179.462 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.37 130.63 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.086 0.773 . . . . 50.0 113.086 -171.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.9 t -107.48 137.49 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.406 -1.331 . . . . 50.0 107.406 177.103 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.8 mt -109.26 126.73 66.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.925 -1.139 . . . . 50.0 107.925 179.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.7 tt -118.15 133.34 55.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.151 -1.425 . . . . 50.0 107.151 -178.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -119.25 132.56 55.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.196 0.522 . . . . 50.0 111.805 -178.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 114.881 -1.054 . . . . 50.0 108.655 173.573 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 122.566 1.174 . . . . 25.0 113.106 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.73 -39.48 2.71 Favored Glycine 0 C--N 1.342 0.892 0 O-C-N 121.135 -0.978 . . . . 25.0 111.784 -176.851 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 57.41 20.92 6.37 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 115.135 1.531 . . . . 25.0 115.135 173.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -140.42 130.48 24.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.768 0.318 . . . . 25.0 110.484 177.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -157.09 84.39 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 175.123 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -71.56 167.84 18.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.361 -0.536 . . . . 25.0 110.377 -178.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -140.86 -56.43 0.51 Allowed 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.21 179.37 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.9 m170 54.25 25.57 5.96 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 175.208 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -73.11 148.19 44.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.464 -0.773 . . . . 25.0 109.46 177.135 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -138.02 60.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 179.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -136.17 165.61 25.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -177.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -141.26 156.32 45.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 178.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 p -87.57 172.28 9.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.451 -0.574 . . . . 25.0 109.451 178.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -147.35 -55.95 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 176.351 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.37 -163.83 24.21 Favored Glycine 0 C--O 1.226 -0.395 0 N-CA-C 111.298 -0.721 . . . . 25.0 111.298 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -159.59 159.39 33.15 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.365 -2.457 . . . . 25.0 104.365 -179.351 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -141.46 150.69 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.316 -1.364 . . . . 25.0 107.316 177.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -134.48 156.99 47.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.768 -1.938 . . . . 25.0 105.768 179.284 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.12 -174.33 46.35 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 109.517 -1.433 . . . . 25.0 109.517 -178.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -132.83 128.71 37.28 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.696 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.25 169.44 18.22 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 102.308 -3.219 . . . . 25.0 102.308 175.06 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -142.72 168.93 18.55 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.08 -0.711 . . . . 50.0 109.08 -176.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.05 130.64 53.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 -178.331 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -121.06 148.77 43.7 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.212 -1.033 . . . . 50.0 108.212 177.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -99.53 143.38 29.83 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.836 -1.172 . . . . 25.0 107.836 178.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -125.11 129.46 73.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.258 -1.386 . . . . 50.0 107.258 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -119.49 110.85 17.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.3 m -97.56 124.22 41.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -114.18 132.74 62.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.066 0.46 . . . . 50.0 111.722 -174.317 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -116.86 145.63 43.44 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 105.612 -1.996 . . . . 50.0 105.612 170.209 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.89 -9.15 57.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.149 0.5 . . . . 25.0 110.581 176.381 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -99.7 25.23 7.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.917 -1.038 . . . . 50.0 110.952 -173.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.82 38.57 26.98 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 25.0 113.539 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.65 23.53 14.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.224 -178.716 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -72.18 153.21 41.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.797 0.808 . . . . 50.0 113.153 -171.157 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.8 152.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.633 -1.617 . . . . 50.0 106.633 -177.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -139.19 148.16 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.641 -1.244 . . . . 25.0 107.641 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -157.73 177.64 11.15 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.872 -1.899 . . . . 50.0 105.872 -176.389 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.3 m -129.39 151.07 50.43 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.306 -0.627 . . . . 50.0 109.306 179.109 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.1 mt -124.81 146.44 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.405 0.441 . . . . 50.0 109.996 -177.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.51 124.14 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.906 -1.516 . . . . 50.0 106.906 178.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.1 m -144.19 165.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.01 -171.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.546 -0.909 . . . . 50.0 108.546 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.05 80.59 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.87 -0.519 . . . . 25.0 109.986 175.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -94.33 13.46 23.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.507 0.67 . . . . 50.0 112.076 -176.676 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -63.73 129.55 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 50.0 108.338 178.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.25 148.15 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.487 -0.324 . . . . 50.0 110.655 -177.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.2 -31.36 72.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.643 -0.423 . . . . 50.0 110.621 175.387 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.23 -48.29 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.494 -0.558 . . . . 50.0 109.494 177.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.37 -31.56 65.69 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 116.074 -0.512 . . . . 50.0 111.44 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.1 -43.47 95.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.78 -0.575 . . . . 50.0 112.089 177.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -68.09 -36.17 79.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.188 0.518 . . . . 50.0 109.73 179.181 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.6 94.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.995 -1.002 . . . . 25.0 110.573 176.122 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.88 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.554 0.692 . . . . 50.0 109.726 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 45.9 t -62.57 -42.84 99.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.863 -0.608 . . . . 50.0 110.927 176.051 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.92 -42.1 98.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.32 -48.17 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.452 . . . . 50.0 111.987 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -30.52 59.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.52 0.933 . . . . 50.0 113.52 -176.825 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.0 p -87.42 -26.23 23.39 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -176.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.68 10.7 83.17 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.767 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.32 141.02 26.53 Favored Pre-proline 0 N--CA 1.47 0.541 0 CA-C-N 117.746 0.773 . . . . 50.0 109.233 178.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.5 127.74 22.69 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 115.289 1.226 . . . . 50.0 115.289 -175.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.63 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 174.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.07 68.99 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.015 -0.539 . . . . 25.0 111.635 178.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -101.23 12.23 37.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.539 -0.3 . . . . 50.0 110.514 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.1 m -129.68 160.18 34.16 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 115.289 1.589 . . . . 50.0 115.289 -171.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -133.49 153.52 51.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.23 -1.396 . . . . 50.0 107.23 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.8 tt -128.06 137.8 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-O 120.971 0.415 . . . . 25.0 110.376 -174.035 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.77 146.12 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.278 0.631 . . . . 50.0 109.595 -173.453 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -147.51 139.89 24.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 179.457 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.41 41.61 25.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.264 0.554 . . . . 25.0 110.655 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 60.16 13.96 4.2 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.967 1.469 . . . . 50.0 114.967 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -126.62 143.74 47.38 Favored Pre-proline 0 N--CA 1.472 0.633 0 O-C-N 121.78 -0.575 . . . . 25.0 110.25 178.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.09 152.28 45.44 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 115.802 -2.332 . . . . 50.0 112.967 -176.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 53.6 mt -93.48 61.28 3.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 50.0 107.196 176.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -39.18 70.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -172.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -79.74 95.76 6.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 -175.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -70.52 -20.08 62.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.194 -0.912 . . . . 25.0 112.855 -174.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -83.01 -4.52 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.506 0.558 . . . . 50.0 112.506 -177.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.21 149.22 25.24 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.3 m -79.58 164.83 23.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.77 -0.456 . . . . 50.0 109.77 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.95 -38.96 87.73 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.309 0.576 . . . . 50.0 111.032 177.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.68 -30.13 67.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.884 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.5 t -70.97 -17.41 62.66 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.201 0.445 . . . . 50.0 112.201 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -100.28 -5.41 27.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.344 -0.613 . . . . 50.0 109.344 175.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.24 17.43 71.71 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.504 -0.638 . . . . 25.0 111.504 -176.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 18.4 mt -74.21 84.18 1.86 Allowed 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.203 0.525 . . . . 50.0 110.169 -178.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.31 170.46 10.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 50.0 111.25 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.23 125.85 22.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 50.0 110.397 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 106.31 -17.71 40.01 Favored Glycine 0 CA--C 1.517 0.192 0 CA-C-N 115.171 -0.922 . . . . 25.0 113.563 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.07 156.79 38.06 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 117.754 0.777 . . . . 50.0 110.44 177.341 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.82 135.47 62.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.447 -0.797 . . . . 50.0 109.634 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.96 158.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 107.601 -1.259 . . . . 50.0 107.601 177.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.46 129.58 75.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.059 -1.089 . . . . 50.0 108.059 -178.396 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.41 139.66 49.31 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.806 -1.553 . . . . 50.0 106.806 177.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -122.15 127.25 49.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.083 -0.71 . . . . 50.0 109.083 176.258 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 124.114 1.912 . . . . 50.0 109.183 173.578 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 123.426 1.584 . . . . 25.0 114.5 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.81 15.33 64.41 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 114.965 -1.016 . . . . 25.0 115.537 176.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -65.86 135.41 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.593 0.696 . . . . 25.0 109.682 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -79.47 56.15 2.1 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -176.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -73.62 152.13 40.63 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 179.387 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -64.48 138.43 58.41 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.698 -0.852 . . . . 25.0 108.698 176.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.83 -40.38 91.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.988 0.423 . . . . 25.0 110.02 177.668 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -152.28 -53.76 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 25.0 112.328 178.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -153.89 -179.3 7.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.2 -56.09 2.11 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 173.738 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -159.06 161.51 36.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 179.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -153.06 33.84 0.47 Allowed 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.363 0.601 . . . . 25.0 112.0 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.0 t -81.69 122.94 28.27 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.7 p -162.0 170.24 19.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.826 -1.176 . . . . 25.0 107.826 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.02 160.4 10.09 Favored Glycine 0 C--O 1.228 -0.268 0 N-CA-C 111.85 -0.5 . . . . 25.0 111.85 177.842 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -161.2 174.13 14.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 179.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.0 mt -128.8 148.63 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 102.839 -3.022 . . . . 25.0 102.839 175.297 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -135.23 161.52 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 178.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.61 -176.57 23.68 Favored Glycine 0 C--O 1.229 -0.174 0 N-CA-C 111.12 -0.792 . . . . 25.0 111.12 -178.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -141.25 163.29 33.35 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -161.41 169.39 22.03 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.71 -1.959 . . . . 25.0 105.71 176.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -138.62 159.57 41.77 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 105.909 -1.885 . . . . 50.0 105.909 177.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -114.61 129.27 56.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.656 -0.247 . . . . 50.0 110.62 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.29 152.58 41.24 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 108.232 -1.025 . . . . 50.0 108.232 177.253 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.8 m -102.2 142.56 33.26 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.1 127.6 72.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.69 -1.226 . . . . 50.0 107.69 176.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -114.98 115.0 26.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 179.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.9 t -104.12 116.59 32.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.864 0.364 . . . . 25.0 111.089 -178.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.0 t -98.57 128.55 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.354 -0.61 . . . . 50.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -109.77 150.59 28.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.863 -1.903 . . . . 50.0 105.863 171.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -53.01 -40.52 63.91 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -178.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.28 22.8 1.41 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.098 1.147 . . . . 50.0 114.098 -173.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 114' ' ' GLU . 56.7 mt 60.37 26.24 15.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.35 1.071 . . . . 25.0 110.836 -179.412 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -85.53 25.95 0.99 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.273 -1.33 . . . . 25.0 108.547 175.449 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 112' ' ' LEU . 15.3 pt-20 -72.39 155.85 39.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.565 -1.198 . . . . 50.0 111.798 -171.086 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.28 156.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.143 -1.429 . . . . 50.0 107.143 -174.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -138.78 149.66 45.25 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -156.33 175.66 13.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.366 -2.087 . . . . 50.0 105.366 -176.085 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.2 m -125.87 151.71 46.49 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 39.0 mt -123.55 139.92 53.52 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.177 0.513 . . . . 50.0 110.433 -178.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -104.1 112.91 26.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.538 -1.652 . . . . 50.0 106.538 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.2 m -137.12 166.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.486 -0.325 . . . . 50.0 110.264 -172.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -81.31 159.69 24.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 175.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.83 88.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 176.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -92.28 13.68 18.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.384 0.612 . . . . 50.0 112.452 -176.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -63.05 134.12 55.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.204 -1.036 . . . . 50.0 108.204 177.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.79 147.67 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.223 -0.298 . . . . 50.0 110.98 -178.119 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -37.41 85.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.421 -0.955 . . . . 50.0 108.421 172.028 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -56.17 -43.56 78.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.159 0.504 . . . . 50.0 111.357 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.95 -33.21 51.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.421 -0.354 . . . . 50.0 110.066 -179.16 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.47 -44.89 89.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 179.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -27.89 69.16 Favored 'General case' 0 C--O 1.216 -0.698 0 C-N-CA 120.347 -0.541 . . . . 50.0 109.738 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -40.3 62.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.48 0.657 . . . . 25.0 109.673 175.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.57 -39.66 94.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.141 -177.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.2 p -73.66 -25.33 60.21 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.718 -0.614 . . . . 50.0 111.265 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -35.52 77.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 178.668 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.53 -47.57 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.465 177.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.59 -37.93 80.25 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.184 0.516 . . . . 50.0 111.831 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.1 t -78.83 -24.26 44.57 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.054 0.454 . . . . 25.0 111.308 -177.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.67 60.49 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.104 -0.569 . . . . 25.0 112.711 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -134.48 148.15 66.36 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.706 -0.479 . . . . 50.0 109.706 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -67.13 135.78 38.5 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 115.541 -2.506 . . . . 50.0 111.397 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -24.71 67.71 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.143 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.415 0.524 . . . . 25.0 112.415 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -100.95 12.81 36.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.401 0.62 . . . . 50.0 109.868 -179.43 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.4 t -139.72 167.73 21.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.076 -0.511 . . . . 50.0 109.803 -173.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -121.28 136.4 54.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.587 -1.264 . . . . 50.0 107.587 175.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.3 tt -115.67 132.38 65.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -176.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.3 153.04 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.842 -0.617 . . . . 50.0 110.015 -176.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -139.92 135.1 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.68 -2.341 . . . . 50.0 104.68 177.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.11 40.54 28.82 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.528 0.518 . . . . 25.0 110.059 -172.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 58.18 14.57 2.84 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.062 1.504 . . . . 50.0 115.062 -178.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -113.32 143.18 28.8 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 179.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.97 145.88 63.25 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 116.172 -2.085 . . . . 50.0 113.006 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 17.3 mt -95.08 111.46 23.27 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.656 -1.609 . . . . 50.0 106.656 178.193 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 73.3 p -122.68 -31.74 3.67 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.136 1.532 . . . . 25.0 115.136 -172.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -85.27 77.99 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -176.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -61.42 -22.7 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 -171.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.44 -4.04 49.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.638 0.606 . . . . 50.0 112.638 -179.064 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.52 151.49 22.49 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.88 -0.785 . . . . 50.0 108.88 178.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 70.4 p -83.19 166.46 18.59 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.643 -0.503 . . . . 50.0 109.643 175.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.33 -31.21 71.33 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.313 0.578 . . . . 50.0 111.094 -178.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.89 -30.15 70.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.625 174.389 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.1 m -71.25 -16.65 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.624 0.231 . . . . 50.0 111.624 178.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -98.9 -2.7 36.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.482 -0.562 . . . . 50.0 109.482 176.134 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 72.51 27.78 68.87 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.954 -0.858 . . . . 25.0 110.954 -177.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.38 80.32 2.45 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 121.782 0.801 . . . . 50.0 110.662 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -72.33 162.47 29.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.652 -1.158 . . . . 50.0 112.389 -179.459 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.49 132.9 40.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.753 0.787 . . . . 50.0 110.323 178.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 89.11 -1.59 83.0 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.523 -0.762 . . . . 25.0 113.286 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.51 168.56 19.8 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.564 1.182 . . . . 50.0 110.559 176.028 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.86 137.09 55.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 122.5 1.143 . . . . 50.0 112.848 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.54 142.15 27.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.436 -1.691 . . . . 50.0 106.436 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 91.7 mt -116.49 129.64 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.192 -0.669 . . . . 50.0 109.192 -176.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 55.6 tp -114.82 135.89 53.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 -179.475 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -132.49 106.59 7.94 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.352 0.871 . . . . 50.0 113.352 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 124.767 2.222 . . . . 50.0 110.345 173.813 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 124.104 1.907 . . . . 25.0 112.85 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.92 91.21 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 113.554 -1.657 . . . . 25.0 112.925 -179.253 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -81.81 85.87 6.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 176.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -70.69 -48.18 56.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.064 -0.516 . . . . 25.0 111.416 -177.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -147.01 167.5 23.86 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 -178.9 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -113.46 158.5 20.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 175.749 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -132.51 171.95 13.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.586 0.176 . . . . 25.0 110.64 -177.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.484 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 26.8 t60 63.7 -170.81 0.18 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.97 0.908 . . . . 25.0 110.783 -177.915 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.484 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 4.8 t60 59.15 39.36 23.05 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.001 0.905 . . . . 25.0 111.304 -176.731 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -89.04 163.53 15.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.771 178.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -80.05 146.98 31.67 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 175.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -138.37 156.41 47.63 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.546 -0.909 . . . . 25.0 108.546 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.8 p -93.32 162.44 14.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 178.428 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.6 p -151.47 163.46 38.96 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 176.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.28 156.71 14.99 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 108.237 -1.945 . . . . 25.0 108.237 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -136.27 171.59 14.26 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.614 -1.625 . . . . 25.0 106.614 -179.224 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.8 tt -148.9 141.0 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 106.384 -1.71 . . . . 25.0 106.384 175.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 -129.72 170.26 14.06 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 -176.211 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.58 -178.71 33.82 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 105.816 -2.913 . . . . 25.0 105.816 177.372 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -72.63 132.28 43.52 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.749 -1.574 . . . . 25.0 106.749 178.074 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -156.01 165.0 37.74 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.836 -1.912 . . . . 25.0 105.836 -174.385 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -144.57 144.87 31.52 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.449 0.642 . . . . 50.0 111.766 178.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.378 -0.971 . . . . 50.0 108.378 -177.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -123.63 154.89 38.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.639 -0.874 . . . . 50.0 108.639 -178.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -103.73 139.95 38.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.06 123.09 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.234 -1.024 . . . . 50.0 108.234 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -106.61 116.45 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 177.162 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.5 124.28 41.67 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.1 128.11 70.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.627 -0.715 . . . . 50.0 109.491 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.544 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 54.5 mtp180 -124.06 143.57 50.36 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.67 -0.863 . . . . 50.0 108.67 177.52 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -65.82 -9.26 27.21 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.066 177.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.5 16.0 19.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.346 0.659 . . . . 50.0 111.502 -174.281 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.9 mt 56.77 35.66 26.56 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.724 1.249 . . . . 25.0 110.897 -177.263 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.8 m -106.0 26.04 10.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 113.614 -1.63 . . . . 25.0 111.831 -176.459 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.544 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 5.6 mp0 -72.11 147.96 46.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.532 0.682 . . . . 50.0 111.962 -169.118 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -151.88 150.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.19 -1.411 . . . . 50.0 107.19 -177.279 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.6 t -129.11 144.71 51.29 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 177.887 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -153.99 171.2 19.41 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.406 -1.331 . . . . 50.0 107.406 -176.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.8 p -119.21 146.92 44.79 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.211 -0.663 . . . . 50.0 109.211 179.455 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -121.74 142.84 49.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 50.0 110.185 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -102.23 115.66 31.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.983 -1.008 . . . . 50.0 108.609 -178.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.75 168.14 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 50.0 111.449 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -90.56 163.15 14.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.503 -1.295 . . . . 50.0 107.503 172.35 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.48 94.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.631 0.253 . . . . 25.0 111.501 178.188 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.8 14.43 19.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.414 0.626 . . . . 50.0 112.321 -175.115 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.56 128.88 38.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.549 -0.908 . . . . 50.0 108.549 177.479 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.76 148.67 46.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.927 0.394 . . . . 50.0 111.942 -176.171 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.44 -30.04 71.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 173.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -59.27 -42.58 91.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.999 -0.546 . . . . 50.0 110.91 176.143 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -77.87 -33.85 51.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.234 -0.654 . . . . 50.0 109.234 -179.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.21 -40.26 96.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.655 0.613 . . . . 50.0 112.655 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -66.19 -31.0 71.57 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.757 -0.777 . . . . 50.0 110.811 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.82 64.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.598 . . . . 25.0 109.676 176.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.75 -43.36 93.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.004 -179.559 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.9 p -74.86 -25.49 59.01 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.265 -0.574 . . . . 50.0 111.173 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.1 -44.17 85.13 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 175.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.25 -46.8 85.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 50.0 111.855 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.09 -36.37 72.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 50.0 112.413 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.6 t -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.998 0.428 . . . . 25.0 111.824 -177.578 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.56 13.18 82.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 121.093 -0.575 . . . . 25.0 113.154 179.242 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.8 pp -128.71 140.49 38.66 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 122.465 -0.432 . . . . 50.0 110.273 -179.662 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.29 135.64 47.57 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 117.404 -1.264 . . . . 50.0 115.267 -176.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -27.16 68.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.673 -0.694 . . . . 25.0 109.574 173.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.98 -29.35 66.42 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.002 -0.545 . . . . 25.0 112.334 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -95.88 15.08 21.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.725 0.774 . . . . 50.0 110.159 -177.166 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 70.5 p -146.71 -179.29 6.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 50.0 110.546 -174.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -129.32 148.01 51.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.448 -1.316 . . . . 50.0 107.448 178.46 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.4 tt -124.62 127.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 -176.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.18 133.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.534 -0.757 . . . . 50.0 111.131 -169.094 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -129.88 136.2 49.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.611 -1.255 . . . . 50.0 107.611 175.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 44.44 25.89 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.455 0.472 . . . . 25.0 111.015 -178.589 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 63.0 8.46 3.21 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.737 1.755 . . . . 50.0 115.737 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.22 139.01 26.94 Favored Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 121.582 -0.698 . . . . 25.0 110.173 178.613 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.37 149.27 56.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 116.284 -2.011 . . . . 50.0 111.757 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.92 98.01 10.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.199 -0.667 . . . . 50.0 109.199 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.9 p -104.26 -19.99 13.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.904 1.076 . . . . 25.0 113.904 -175.497 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.87 81.91 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.289 0.566 . . . . 25.0 109.721 -176.038 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -53.24 -38.29 62.85 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.553 1.316 . . . . 25.0 114.553 -175.15 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -82.11 -0.59 45.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 114.212 1.19 . . . . 50.0 114.212 -176.455 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -77.41 145.32 37.26 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 105.832 -1.914 . . . . 50.0 105.832 172.584 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 58.2 p -79.73 163.72 24.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.379 -1.341 . . . . 50.0 107.379 171.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.17 -33.54 76.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.979 0.419 . . . . 50.0 110.106 -179.327 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.2 71.23 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.005 -0.434 . . . . 25.0 110.786 176.168 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.1 m -70.89 -16.47 62.69 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.709 0.29 . . . . 50.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -97.39 -5.92 35.21 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.611 -0.515 . . . . 50.0 109.611 175.672 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.99 20.87 56.95 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-O 119.496 -0.614 . . . . 25.0 113.813 -178.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.96 84.89 0.97 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 121.724 0.773 . . . . 50.0 110.258 178.482 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -71.73 158.18 36.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.905 -1.043 . . . . 50.0 108.222 173.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -57.84 132.62 53.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.762 -0.829 . . . . 50.0 108.762 175.418 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.31 -13.33 64.63 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.462 -0.79 . . . . 25.0 113.912 -178.186 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.03 157.24 35.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.166 0.983 . . . . 50.0 110.311 177.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.11 136.54 60.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.979 0.895 . . . . 50.0 111.925 -177.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.72 139.75 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.22 -1.4 . . . . 50.0 107.22 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.08 121.57 61.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.686 -0.857 . . . . 50.0 108.686 -179.71 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 tt -104.42 131.73 51.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 105.292 -2.114 . . . . 50.0 105.292 179.232 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -129.72 121.52 27.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.701 0.682 . . . . 50.0 112.636 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 124.704 2.193 . . . . 50.0 111.264 176.861 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 122.638 1.209 . . . . 25.0 113.345 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 171.88 -159.76 31.21 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.809 -1.316 . . . . 25.0 109.809 -176.826 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 58.12 -148.07 0.49 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.397 0.679 . . . . 25.0 110.59 179.447 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 65.52 -16.67 0.1 Allowed 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 115.381 1.623 . . . . 25.0 115.381 -177.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -70.4 138.87 51.66 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.057 -0.402 . . . . 25.0 110.057 177.012 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -137.37 157.61 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 176.575 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -154.21 163.7 39.71 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 -177.046 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -152.24 175.99 12.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.454 -1.684 . . . . 25.0 106.454 177.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -117.89 144.86 45.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 176.651 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -149.67 168.91 22.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -152.95 177.24 10.98 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.41 -1.7 . . . . 25.0 106.41 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -125.49 152.22 45.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.568 -2.012 . . . . 25.0 105.568 175.772 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.7 t -143.15 152.13 41.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.834 -1.543 . . . . 25.0 106.834 179.018 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.5 p -157.5 169.4 24.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 -177.23 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -164.56 -170.89 30.12 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 107.845 -2.102 . . . . 25.0 107.845 178.414 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -127.09 165.39 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 -179.432 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 79.1 mt -107.08 111.63 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 105.549 -2.019 . . . . 25.0 105.549 176.05 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.99 164.47 12.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 -176.454 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.7 -170.88 23.83 Favored Glycine 0 C--O 1.219 -0.807 0 N-CA-C 110.713 -0.955 . . . . 25.0 110.713 -179.476 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 63.63 10.85 5.3 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.084 0.953 . . . . 25.0 112.984 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -101.78 163.34 12.31 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 177.251 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -139.14 161.79 36.54 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.168 -1.049 . . . . 50.0 108.168 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -110.86 133.0 53.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.707 -0.479 . . . . 50.0 109.707 -178.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.18 150.23 48.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 177.575 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.4 m -96.58 140.43 31.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.8 t -125.15 124.65 67.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.363 -0.977 . . . . 50.0 108.363 178.317 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -112.75 111.83 22.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -97.49 130.29 44.59 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -178.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.7 t -118.94 133.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.639 -0.504 . . . . 50.0 109.639 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 -117.41 148.99 41.27 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.344 -1.725 . . . . 50.0 106.344 171.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.92 -31.42 70.94 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.671 0.272 . . . . 25.0 111.338 -179.479 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.08 27.6 0.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.629 0.603 . . . . 50.0 112.629 -177.319 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.8 mt 56.87 26.32 11.49 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.545 1.138 . . . . 25.0 113.708 177.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.47 25.83 1.36 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.798 0.839 . . . . 25.0 111.509 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -72.46 150.4 43.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.532 -0.758 . . . . 50.0 112.172 -170.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.91 157.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 107.258 -1.386 . . . . 50.0 107.258 -174.156 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.2 t -138.26 147.55 43.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 177.163 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -159.34 -178.47 7.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.698 -1.593 . . . . 50.0 106.698 -177.148 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -130.19 151.73 50.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.872 -0.418 . . . . 50.0 109.872 178.325 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.08 147.62 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.353 0.408 . . . . 50.0 110.094 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -102.62 127.6 49.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 50.0 106.808 176.082 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.24 166.9 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.395 -0.366 . . . . 50.0 110.285 -174.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.04 163.05 22.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.423 -0.955 . . . . 50.0 108.423 172.384 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.71 0.29 . . . . 25.0 110.816 177.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -96.89 19.58 12.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.683 0.754 . . . . 50.0 112.414 -174.201 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.41 127.6 32.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 177.038 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.76 152.19 45.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.656 0.265 . . . . 50.0 111.198 -176.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.417 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.6 mm? -68.28 -27.04 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.188 -0.32 . . . . 50.0 111.16 175.018 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -65.6 -45.42 83.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.207 -0.664 . . . . 50.0 109.207 175.572 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.01 -41.07 78.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.655 0.74 . . . . 50.0 109.36 178.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.58 -42.81 97.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.526 0.936 . . . . 50.0 113.526 -178.193 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.417 HH21 ' HB3' ' A' ' 127' ' ' LEU . 20.7 ptp180 -69.95 -27.89 65.11 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 119.734 -0.787 . . . . 50.0 111.166 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.13 66.19 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 175.406 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.8 -40.15 95.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.62 0.724 . . . . 50.0 109.351 177.497 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.37 -42.35 96.22 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.255 176.339 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.13 -41.02 95.96 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 122.447 0.299 . . . . 25.0 110.573 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.89 -47.82 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 50.0 110.944 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -69.39 -41.51 76.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.412 0.625 . . . . 50.0 112.059 -177.029 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.8 t -83.28 -20.34 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.49 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.02 179.508 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.2 pp -126.87 140.69 38.36 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 122.592 -0.358 . . . . 50.0 110.469 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.14 125.91 16.79 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 117.319 -1.321 . . . . 50.0 113.744 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.59 69.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 25.0 110.09 176.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.9 -25.53 68.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.884 -0.598 . . . . 25.0 112.371 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -99.31 19.37 15.58 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.182 0.515 . . . . 50.0 110.007 -178.075 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.42 ' HG ' HD23 ' A' ' 174' ' ' LEU . 4.2 t -136.73 161.08 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 116.027 1.862 . . . . 50.0 116.027 -171.29 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.98 154.33 44.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.091 -1.448 . . . . 50.0 107.091 172.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.8 tt -128.11 133.92 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 109.781 -0.452 . . . . 25.0 109.781 -174.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.34 138.92 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.819 0.848 . . . . 50.0 111.2 -169.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -135.54 136.77 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.419 -1.326 . . . . 50.0 107.419 175.745 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.28 43.87 23.18 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.48 0.487 . . . . 25.0 111.536 -178.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 61.09 13.54 4.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.764 1.765 . . . . 50.0 115.764 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.0 134.65 24.41 Favored Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 121.632 -0.668 . . . . 25.0 109.725 175.916 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.26 145.74 55.1 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 116.316 -1.989 . . . . 50.0 111.608 179.563 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -90.29 73.83 7.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 28.7 p -68.84 -35.34 76.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.178 -0.919 . . . . 25.0 112.611 -174.466 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.28 92.21 8.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 -175.567 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -67.82 -24.2 65.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.519 -0.764 . . . . 25.0 112.898 -175.231 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -81.17 -5.19 57.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.261 0.467 . . . . 50.0 112.261 -177.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -88.62 148.59 23.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.847 -1.168 . . . . 50.0 107.847 177.2 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 89.3 p -86.65 167.73 14.25 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.502 0.556 . . . . 50.0 112.502 -178.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.96 -41.22 99.45 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.504 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.37 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.085 -0.384 . . . . 25.0 110.934 176.484 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 66.8 m -68.53 -17.97 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.224 -0.298 . . . . 50.0 111.693 178.092 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.94 -4.9 25.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 50.0 110.204 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.6 25.13 51.59 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-O 119.679 -0.511 . . . . 25.0 114.183 -179.232 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.9 84.61 0.95 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.129 0.965 . . . . 50.0 111.174 178.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -67.37 156.21 37.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.322 -0.853 . . . . 50.0 111.641 176.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.26 130.29 34.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 50.0 109.761 173.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.65 -0.65 74.17 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.89 -0.596 . . . . 25.0 113.848 179.501 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 174.72 10.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.328 1.064 . . . . 50.0 110.55 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.13 139.56 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.975 0.893 . . . . 50.0 113.238 -173.764 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.2 t -114.19 138.03 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 107.583 -1.265 . . . . 50.0 107.583 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.1 mp -109.49 123.52 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.652 -0.87 . . . . 50.0 108.652 -178.553 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.42 HD23 ' HG ' ' A' ' 145' ' ' SER . 1.8 tt -109.89 137.71 47.29 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.179 -1.045 . . . . 50.0 108.179 179.436 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -126.98 111.48 14.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.253 0.549 . . . . 50.0 110.44 -179.638 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 123.68 1.705 . . . . 50.0 111.366 -177.055 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 124.621 2.153 . . . . 25.0 112.864 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -146.41 146.21 15.98 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 113.409 -1.723 . . . . 25.0 109.482 176.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -81.71 -27.84 33.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -175.57 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.3 m80 50.88 38.28 19.54 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 179.429 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -100.77 141.74 33.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.204 -0.453 . . . . 25.0 109.886 -177.366 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -114.52 159.73 20.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 -177.826 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -138.92 166.56 24.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 -177.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -139.65 153.7 47.36 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -123.21 156.86 34.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -177.631 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -139.03 166.15 25.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 -175.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -99.07 156.52 16.89 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 -179.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -73.51 153.48 40.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.002 -0.37 . . . . 25.0 110.002 178.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 t -76.81 158.64 30.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 176.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.2 t -148.41 159.63 43.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.292 -1.373 . . . . 25.0 107.292 178.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -167.48 167.12 39.75 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 108.57 -1.812 . . . . 25.0 108.57 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -140.98 168.56 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 -178.284 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.7 pt -129.13 161.93 37.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 106.47 -1.678 . . . . 25.0 106.47 175.704 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -75.17 -31.08 60.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.13 0.491 . . . . 25.0 111.817 -177.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.34 -151.33 41.67 Favored Glycine 0 CA--C 1.518 0.222 0 N-CA-C 109.934 -1.266 . . . . 25.0 109.934 -177.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -154.41 146.85 23.99 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 176.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -143.23 171.0 14.7 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 104.202 -2.518 . . . . 25.0 104.202 171.024 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -139.66 168.56 19.55 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.164 -1.05 . . . . 50.0 108.164 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 tp -126.11 130.77 51.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.299 -0.26 . . . . 50.0 110.299 -177.224 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.95 140.94 51.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.413 -0.958 . . . . 50.0 108.413 177.169 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.4 m -93.35 138.01 32.11 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 177.485 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.3 t -125.17 125.11 68.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.394 -0.965 . . . . 50.0 108.394 179.443 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -110.52 117.18 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 177.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.51 ' HG ' ' HB2' ' A' ' 138' ' ' SER . 44.7 t -100.99 126.42 47.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 25.0 110.222 179.337 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.5 t -112.05 128.24 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.322 -0.854 . . . . 50.0 110.989 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -117.96 144.82 45.18 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.976 -1.861 . . . . 50.0 105.976 168.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -66.97 -12.22 59.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.194 0.521 . . . . 25.0 110.911 176.005 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.48 16.52 8.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.849 -1.069 . . . . 50.0 111.581 -176.028 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.8 mt 56.19 30.48 16.61 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.266 1.027 . . . . 25.0 113.064 179.311 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 26.19 5.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.491 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -72.55 145.57 47.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.281 -0.872 . . . . 50.0 109.385 -166.294 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -149.97 144.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.792 -1.094 . . . . 50.0 109.541 -172.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.1 t -124.77 143.17 50.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 177.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.87 174.0 14.64 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.485 -2.043 . . . . 50.0 105.485 -177.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -135.35 142.45 45.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.758 -0.83 . . . . 50.0 108.758 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.79 143.36 45.21 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.604 0.565 . . . . 50.0 110.905 -176.675 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -102.27 120.38 40.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.134 -1.802 . . . . 50.0 106.134 177.111 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.88 167.33 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.126 -0.488 . . . . 50.0 109.901 -171.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.34 162.03 22.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 50.0 107.625 174.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 176.014 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.79 17.28 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.605 0.716 . . . . 50.0 112.009 -176.749 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -65.81 131.73 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.427 -0.953 . . . . 50.0 108.427 177.51 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.37 149.01 50.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.033 0.133 . . . . 50.0 110.662 -176.03 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.532 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.3 mm? -68.5 -27.05 65.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.766 -0.584 . . . . 50.0 110.573 174.752 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -66.47 -42.51 87.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.427 0.632 . . . . 50.0 109.498 176.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -41.1 68.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.714 0.769 . . . . 50.0 109.484 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.64 -46.49 88.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.893 0.701 . . . . 50.0 112.893 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.532 HH21 ' HB3' ' A' ' 127' ' ' LEU . 19.7 ptp180 -68.4 -27.9 66.63 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 119.964 -0.694 . . . . 50.0 111.22 -179.338 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.08 78.12 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 175.48 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.14 -38.65 91.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.797 -0.446 . . . . 50.0 109.797 176.726 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.56 -37.44 87.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.214 -0.304 . . . . 50.0 110.998 177.592 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.03 -42.44 97.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.5 -44.49 96.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.81 -0.632 . . . . 50.0 111.737 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.45 -36.17 73.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.398 0.518 . . . . 50.0 112.398 -178.83 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.51 ' HB2' ' HG ' ' A' ' 107' ' ' CYS . 77.2 p -87.54 -20.69 26.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -175.091 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.05 30.18 76.45 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.064 -0.589 . . . . 25.0 114.556 176.27 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 pp -124.74 146.27 52.37 Favored Pre-proline 0 N--CA 1.47 0.526 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -66.13 124.79 13.07 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 116.082 -2.145 . . . . 50.0 112.053 178.073 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -26.47 68.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 25.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.16 -22.87 67.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -99.62 10.14 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 50.0 110.738 -178.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 p -130.77 171.47 13.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 115.021 1.489 . . . . 50.0 115.021 -170.387 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.1 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.603 -1.258 . . . . 50.0 107.603 174.314 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.08 136.17 60.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 -176.507 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.4 m -133.78 152.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.178 0.513 . . . . 50.0 111.377 -176.875 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -139.21 137.36 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.056 -2.572 . . . . 50.0 104.056 174.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 35.22 17.25 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.274 0.559 . . . . 25.0 110.345 -173.643 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 58.91 20.0 7.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.762 1.393 . . . . 50.0 114.762 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -120.2 142.17 33.12 Favored Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 176.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -72.29 144.9 42.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 116.704 -1.731 . . . . 50.0 114.33 -175.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.85 67.32 8.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.31 -0.996 . . . . 50.0 108.31 177.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 40.2 p -70.83 -28.49 64.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.812 -176.574 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -85.37 112.98 21.33 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 -178.452 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -94.77 -16.83 22.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.85 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.82 -32.35 35.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.071 0.463 . . . . 50.0 109.818 -176.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -56.26 149.83 15.58 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.931 -0.577 . . . . 50.0 110.756 175.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -89.18 170.2 10.81 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 107.649 -1.241 . . . . 50.0 107.649 170.178 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.21 -33.74 76.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.229 0.537 . . . . 50.0 110.132 -179.435 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.88 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.477 176.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 14.2 m -68.65 -16.51 63.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.737 0.643 . . . . 50.0 112.737 179.002 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -102.03 -6.28 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 50.0 110.439 175.656 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.36 24.91 71.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -174.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.84 80.41 1.61 Allowed 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.638 0.733 . . . . 50.0 109.724 -178.754 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -76.15 165.81 24.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.035 -0.984 . . . . 50.0 112.033 -177.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.47 128.48 34.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.346 -0.843 . . . . 50.0 108.931 172.07 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.19 -11.6 58.58 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.449 -0.796 . . . . 25.0 113.579 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.18 159.54 31.47 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 118.067 0.933 . . . . 50.0 109.901 176.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -126.28 137.52 57.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.97 0.891 . . . . 50.0 110.71 -177.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.43 144.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.041 -1.466 . . . . 50.0 107.041 -177.278 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.9 mt -119.52 129.23 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.978 -0.749 . . . . 50.0 108.978 -177.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.6 tt -117.98 135.42 54.16 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.493 -1.669 . . . . 50.0 106.493 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -131.13 128.55 40.35 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.574 0.625 . . . . 50.0 112.144 -179.06 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 125.854 2.74 . . . . 50.0 111.706 177.534 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 122.767 1.27 . . . . 25.0 113.598 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.89 -168.99 38.08 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 110.202 -1.159 . . . . 25.0 110.202 -176.825 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -139.37 157.02 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 -178.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 m80 56.51 -157.82 0.26 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.242 0.964 . . . . 25.0 112.13 178.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -128.33 133.43 48.7 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 179.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -88.35 77.92 8.06 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 -178.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -60.18 -39.5 86.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.413 -178.708 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.514 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 41.1 t60 58.75 -175.69 0.09 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.746 0.818 . . . . 25.0 112.411 178.066 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.514 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 83.3 m-70 -132.93 60.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -178.821 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -63.42 132.76 52.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.42 -177.401 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -160.07 174.93 13.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.834 -1.543 . . . . 25.0 106.834 -179.127 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -129.2 -41.4 1.41 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.319 0.387 . . . . 25.0 110.686 174.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m 53.59 -153.0 0.28 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.611 0.569 . . . . 25.0 111.488 179.509 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.7 m -148.93 154.04 38.85 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.431 -1.692 . . . . 25.0 106.431 178.277 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.42 -17.49 0.76 Allowed Glycine 0 C--O 1.222 -0.611 0 N-CA-C 114.955 0.742 . . . . 25.0 114.955 -178.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -78.18 126.53 30.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 178.681 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.1 pt -132.98 175.12 12.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 107.749 -1.204 . . . . 25.0 107.749 -179.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 63.57 -179.74 0.16 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.472 1.108 . . . . 25.0 113.805 177.77 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.05 170.17 39.17 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 108.354 -1.898 . . . . 25.0 108.354 -178.584 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.32 110.3 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.613 0.706 . . . . 25.0 109.519 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.97 170.08 22.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 -179.112 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.51 165.78 25.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.512 -0.921 . . . . 50.0 108.512 179.399 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -117.5 137.76 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.237 -0.282 . . . . 50.0 110.237 -174.634 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.19 153.1 40.53 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.098 -1.075 . . . . 50.0 108.098 174.114 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -108.45 142.6 38.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.273 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.58 131.93 72.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.553 -1.277 . . . . 50.0 107.553 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -116.23 116.49 27.88 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 175.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.8 t -97.52 125.05 41.99 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -179.434 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.09 130.99 63.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.743 0.783 . . . . 50.0 111.788 -176.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -124.12 141.11 52.33 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 105.154 -2.165 . . . . 50.0 105.154 172.608 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -68.03 -13.79 62.47 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.124 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -95.63 22.95 6.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.567 . . . . 50.0 110.277 -177.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt 54.97 29.59 12.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.556 1.143 . . . . 25.0 113.248 -179.561 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.59 25.84 1.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.989 -1.005 . . . . 25.0 110.267 176.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.55 149.98 43.56 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.71 -1.132 . . . . 50.0 111.683 -167.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.58 154.81 8.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 50.0 107.793 -177.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.22 148.36 46.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 174.791 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -156.23 172.32 18.67 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.115 -1.809 . . . . 50.0 106.115 -176.63 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.0 m -129.69 149.79 51.29 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.815 -0.439 . . . . 50.0 109.815 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.56 146.52 52.09 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.183 -0.462 . . . . 50.0 109.908 -178.264 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -102.91 125.36 49.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.086 -1.079 . . . . 50.0 108.086 178.044 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.0 m -138.93 171.35 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.236 -1.024 . . . . 50.0 108.236 -172.813 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.21 164.45 13.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.916 -1.142 . . . . 50.0 107.916 175.46 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.44 74.12 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 176.249 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -91.62 19.38 6.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 50.0 112.053 -178.219 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -73.56 136.66 44.04 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.303 -0.999 . . . . 50.0 108.303 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -64.27 141.93 58.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.076 -0.342 . . . . 50.0 110.076 179.23 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.13 -33.14 75.09 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.995 -1.113 . . . . 50.0 107.995 174.379 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.9 -43.23 98.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.04 0.447 . . . . 50.0 111.141 176.718 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -72.19 -34.03 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.295 -0.632 . . . . 50.0 109.295 -179.745 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -64.18 -42.84 96.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.997 0.369 . . . . 50.0 111.997 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -66.73 -31.44 72.1 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.69 -0.804 . . . . 50.0 110.704 179.169 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.4 65.28 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.276 0.56 . . . . 25.0 110.261 178.098 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.37 -38.45 91.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.43 0.633 . . . . 50.0 109.46 178.349 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.49 -43.03 98.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.708 -0.678 . . . . 50.0 110.647 176.078 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.44 -41.72 98.94 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.486 0.315 . . . . 25.0 110.332 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.96 -45.29 89.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 50.0 111.601 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -69.05 -39.66 79.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.363 0.601 . . . . 50.0 111.786 -177.507 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.2 p -83.99 -19.46 34.5 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -176.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.94 79.21 Favored Glycine 0 CA--C 1.517 0.157 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.743 176.217 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -127.49 142.72 44.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.037 -0.727 . . . . 50.0 109.037 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.31 143.02 75.36 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 116.578 -1.815 . . . . 50.0 115.233 -174.411 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.21 70.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.497 -0.774 . . . . 25.0 109.267 174.784 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.09 70.16 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.083 -179.571 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -93.33 7.29 45.03 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.015 0.436 . . . . 50.0 110.264 -178.345 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 m -131.44 158.36 41.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.829 1.418 . . . . 50.0 114.829 -171.647 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.08 150.5 49.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.224 -1.769 . . . . 50.0 106.224 172.596 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.82 137.84 56.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 -176.466 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.1 p -140.18 142.62 31.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.867 -1.161 . . . . 50.0 107.867 -172.583 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -135.64 132.25 36.8 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.361 -0.977 . . . . 50.0 108.361 -177.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.0 44.97 25.63 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.569 0.543 . . . . 25.0 110.441 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 62.11 8.69 2.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.783 1.772 . . . . 50.0 115.783 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -115.54 131.76 23.47 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.622 -0.673 . . . . 25.0 109.782 177.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.66 146.48 67.14 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 116.029 -2.18 . . . . 50.0 112.086 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.9 mt -89.56 89.59 7.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.481 -1.303 . . . . 50.0 107.481 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 70.9 p -94.4 -12.55 27.63 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -173.29 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -105.39 104.94 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.438 0.637 . . . . 25.0 110.026 -176.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -70.5 -26.71 63.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.48 -0.782 . . . . 25.0 113.1 -178.571 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.57 -9.17 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.588 0.709 . . . . 50.0 112.483 -172.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -75.98 136.61 40.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.7 p -73.92 161.8 29.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.655 -1.609 . . . . 50.0 106.655 172.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.73 -33.62 75.52 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.375 0.607 . . . . 50.0 110.244 -179.566 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.52 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.951 176.576 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.4 m -70.86 -16.49 62.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.707 0.262 . . . . 50.0 111.707 179.173 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -96.84 -9.07 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.533 0.206 . . . . 50.0 110.526 175.441 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.98 20.69 64.67 Favored Glycine 0 N--CA 1.454 -0.162 0 N-CA-C 111.113 -0.795 . . . . 25.0 111.113 -176.025 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.5 81.54 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.888 0.852 . . . . 50.0 110.118 -178.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -72.39 169.58 16.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.515 -1.221 . . . . 50.0 113.083 -178.808 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.59 128.65 38.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.97 -1.014 . . . . 50.0 109.635 173.005 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.39 0.47 82.36 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.281 -0.872 . . . . 25.0 113.763 178.327 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.37 162.83 26.17 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.643 1.222 . . . . 50.0 110.837 178.083 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.27 136.44 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 112.182 0.438 . . . . 50.0 112.182 -172.699 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.97 161.18 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.619 -0.882 . . . . 50.0 108.619 175.207 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 98.2 mt -122.12 132.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 -178.204 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 12.5 tp -115.61 139.96 49.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.329 -1.36 . . . . 50.0 107.329 179.119 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -130.41 121.64 26.29 Favored 'General case' 0 CA--C 1.508 -0.642 0 O-C-N 121.915 -0.491 . . . . 50.0 109.755 175.195 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 123.474 1.607 . . . . 50.0 111.514 -178.669 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 122.576 1.179 . . . . 25.0 113.884 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.28 24.27 73.46 Favored Glycine 0 C--N 1.345 1.061 0 O-C-N 121.476 -0.765 . . . . 25.0 113.333 -179.672 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -72.41 149.54 44.18 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.486 -0.42 . . . . 25.0 110.804 -179.366 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.44 ' CG ' ' H ' ' A' ' 84' ' ' HIS . 7.9 t60 56.68 -129.06 1.84 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.484 0.714 . . . . 25.0 110.292 178.666 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.44 ' H ' ' CG ' ' A' ' 83' ' ' HIS . 5.2 t60 51.99 45.66 27.91 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 179.042 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -136.05 153.4 51.35 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.109 -0.369 . . . . 25.0 110.788 -179.455 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -139.4 142.49 37.5 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -131.53 29.28 4.55 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.417 0.627 . . . . 25.0 110.685 -176.07 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -70.69 135.31 48.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.629 . . . . 25.0 109.823 -177.687 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -152.99 150.16 28.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 -177.578 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -139.16 145.52 39.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.664 -1.606 . . . . 25.0 106.664 176.486 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -140.89 149.83 42.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -177.56 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 m -143.71 151.12 39.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 105.625 -1.991 . . . . 25.0 105.625 176.29 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -158.85 167.08 30.37 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 -177.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.34 155.28 24.52 Favored Glycine 0 CA--C 1.517 0.215 0 N-CA-C 111.622 -0.591 . . . . 25.0 111.622 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -155.93 164.19 38.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 106.622 -1.622 . . . . 25.0 106.622 -179.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 82.4 mt -120.21 110.75 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.593 -2.003 . . . . 25.0 105.593 178.089 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -159.0 178.38 10.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.478 -0.934 . . . . 25.0 108.478 -174.435 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.31 -177.39 27.3 Favored Glycine 0 N--CA 1.454 -0.134 0 N-CA-C 111.305 -0.718 . . . . 25.0 111.305 -179.771 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.4 ttm105 -158.93 150.09 20.3 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 106.807 -1.553 . . . . 25.0 106.807 -179.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -156.21 176.16 13.04 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 103.957 -2.609 . . . . 25.0 103.957 177.289 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -121.07 168.54 11.43 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.751 -1.574 . . . . 50.0 106.751 172.793 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -120.34 138.5 53.69 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.719 -1.215 . . . . 50.0 107.719 -176.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -127.55 150.07 49.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.386 -1.339 . . . . 50.0 107.386 174.108 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -110.39 133.92 52.81 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.2 133.56 67.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.45 -0.574 . . . . 50.0 109.45 -178.418 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.88 115.96 28.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 173.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -97.51 129.29 44.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 25.0 109.748 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.6 t -112.69 127.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.681 -0.859 . . . . 50.0 108.681 178.434 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.601 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 31.6 mmm-85 -122.06 140.73 52.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.665 -1.605 . . . . 50.0 106.665 -178.387 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.51 -17.85 64.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.776 0.322 . . . . 25.0 111.689 178.114 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.95 13.71 4.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.147 0.795 . . . . 50.0 113.147 -176.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.0 mt 58.4 35.25 24.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.954 1.359 . . . . 25.0 110.128 -176.212 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -106.01 26.03 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.126 -1.852 . . . . 25.0 110.939 -175.752 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.601 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 14.0 mp0 -72.42 148.07 45.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.574 0.702 . . . . 50.0 110.993 -168.356 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.26 155.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 107.734 -1.21 . . . . 50.0 107.734 -174.366 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -135.74 146.69 47.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 175.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -154.55 173.73 15.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.775 -1.565 . . . . 50.0 106.775 -175.385 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.3 m -129.94 146.93 51.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 178.724 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.0 mt -120.91 145.84 47.25 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.044 0.45 . . . . 50.0 111.45 -176.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -103.61 113.58 27.2 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.91 -1.515 . . . . 50.0 106.91 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.15 163.05 27.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.513 -0.18 . . . . 50.0 110.513 -174.229 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -82.17 163.25 22.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 175.558 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.62 93.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.653 -0.249 . . . . 25.0 111.022 176.824 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -94.73 15.45 18.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.481 0.658 . . . . 50.0 112.64 -175.364 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.9 132.42 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 50.0 107.96 176.469 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.64 151.41 47.4 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.151 -0.343 . . . . 50.0 111.742 -177.294 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.29 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.359 -0.978 . . . . 50.0 108.359 174.25 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.406 0.622 . . . . 50.0 110.417 175.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -69.56 -39.44 77.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.532 0.682 . . . . 50.0 109.338 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.58 -44.26 96.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.902 0.705 . . . . 50.0 112.902 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -69.27 -27.89 65.83 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.728 -0.789 . . . . 50.0 110.426 -179.266 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.11 -40.67 71.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.099 0.476 . . . . 25.0 109.851 174.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.1 -36.13 82.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.931 0.872 . . . . 50.0 109.744 178.195 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.28 -38.97 92.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.311 -0.859 . . . . 50.0 110.746 175.572 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -36.32 83.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.8 -49.56 76.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 50.0 111.203 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.86 -32.09 65.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.278 0.561 . . . . 50.0 111.839 -178.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t -81.38 -21.11 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -177.241 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.21 12.47 84.31 Favored Glycine 0 CA--C 1.518 0.231 0 N-CA-C 114.475 0.55 . . . . 25.0 114.475 177.681 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.8 pt -135.52 145.97 55.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 117.307 0.554 . . . . 50.0 109.933 -179.486 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -63.71 135.91 51.08 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 117.005 -1.53 . . . . 50.0 113.775 -178.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.6 -24.66 67.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.115 178.173 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.11 69.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 25.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -92.53 19.11 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.389 0.614 . . . . 50.0 110.287 -177.259 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -145.67 170.5 16.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.327 -0.99 . . . . 50.0 108.327 -177.169 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -125.13 127.81 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.938 -0.393 . . . . 50.0 109.938 178.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.2 tt -97.03 132.57 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 -179.114 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.45 135.04 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 123.819 0.847 . . . . 50.0 110.362 -170.55 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -135.96 138.91 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.847 -1.168 . . . . 50.0 107.847 176.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.49 41.27 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.34 0.59 . . . . 25.0 110.284 -176.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 58.92 12.2 2.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.464 1.653 . . . . 50.0 115.464 -178.029 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -116.05 139.66 25.36 Favored Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 121.78 -0.575 . . . . 25.0 110.273 176.617 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 150.46 56.8 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 115.839 -2.307 . . . . 50.0 112.024 177.693 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.13 95.36 7.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.396 -0.965 . . . . 50.0 108.396 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.6 p -83.88 -23.31 31.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 25.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.413 ' CB ' ' HH ' ' A' ' 164' ' ' TYR . 47.0 m-20 -90.78 115.87 28.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.713 -0.676 . . . . 25.0 109.486 -177.924 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -94.65 -22.91 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 -176.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.82 -8.74 59.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 118.134 2.642 . . . . 50.0 118.134 -165.27 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.03 163.85 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.138 -1.06 . . . . 50.0 108.138 176.38 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -79.59 165.34 23.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.783 -0.644 . . . . 50.0 112.183 177.223 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.86 -41.77 96.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.902 -0.59 . . . . 50.0 112.494 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.76 -31.13 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.734 0.302 . . . . 25.0 110.758 177.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -71.32 -16.49 62.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.179 0.437 . . . . 50.0 112.179 178.599 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.413 ' HH ' ' CB ' ' A' ' 156' ' ' ASP . 69.2 m-85 -102.0 -2.49 29.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.617 0.246 . . . . 50.0 110.472 175.457 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.29 15.75 66.0 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 114.393 0.517 . . . . 25.0 114.393 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.84 81.71 2.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 117.959 0.879 . . . . 50.0 109.326 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 170.85 15.83 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.491 0.662 . . . . 50.0 112.625 -178.072 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -53.02 118.03 3.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.983 1.105 . . . . 50.0 113.983 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.52 75.34 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-O 119.536 -0.591 . . . . 25.0 114.101 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -72.13 160.37 32.57 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.996 0.898 . . . . 50.0 110.288 179.244 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.13 130.11 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.732 0.777 . . . . 50.0 112.57 -172.475 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.96 151.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 106.828 -1.545 . . . . 50.0 106.828 177.56 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 64.0 mt -126.08 126.14 69.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 -178.305 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 38.6 tp -102.85 131.61 49.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 106.52 -1.659 . . . . 50.0 106.52 177.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -128.39 113.6 15.78 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.705 0.632 . . . . 50.0 112.705 -177.699 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 124.677 2.179 . . . . 50.0 111.056 174.157 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 122.971 1.367 . . . . 25.0 113.749 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.08 168.11 41.25 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 109.083 -1.607 . . . . 25.0 109.083 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -77.62 138.16 38.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 117.265 0.533 . . . . 25.0 110.25 -179.162 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -152.07 157.05 41.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.332 -1.729 . . . . 25.0 106.332 176.275 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -130.23 135.92 48.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 -178.464 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -121.66 23.22 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.947 -0.76 . . . . 25.0 108.947 -177.872 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 t60 65.59 174.59 0.22 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.385 -1.28 . . . . 25.0 109.162 -170.587 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -135.61 138.15 42.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.289 -1.004 . . . . 25.0 108.289 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -137.78 156.95 47.41 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.351 -1.722 . . . . 25.0 106.351 178.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -139.53 132.61 29.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.378 -1.341 . . . . 25.0 107.378 -177.254 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -126.65 0.67 6.8 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -172.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -69.53 143.22 53.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 178.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.7 t 61.41 28.93 18.24 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 -177.912 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m -83.66 165.09 19.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 174.444 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.22 123.91 6.51 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.485 -0.864 . . . . 25.0 111.272 177.347 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -92.17 98.69 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.074 0.464 . . . . 25.0 109.902 178.661 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.25 62.92 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 179.765 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -97.55 -15.35 20.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.177 -0.92 . . . . 25.0 110.942 -175.564 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.41 157.92 32.93 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.699 -0.682 . . . . 25.0 113.288 179.024 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -171.63 38.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -131.2 173.64 10.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.765 -1.939 . . . . 25.0 105.765 -175.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -109.26 166.66 10.69 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.252 0.548 . . . . 50.0 110.122 178.892 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.3 tp -125.22 132.48 52.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.788 -1.56 . . . . 50.0 106.788 -178.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -122.11 153.61 38.47 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 108.054 -1.091 . . . . 50.0 108.054 178.525 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.5 m -106.88 141.21 38.47 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.114 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.97 128.38 75.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 107.595 -1.261 . . . . 50.0 107.595 179.193 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -113.76 111.0 21.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -97.45 122.71 40.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.227 0.537 . . . . 25.0 110.514 -176.099 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.1 t -105.4 126.41 60.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.172 -178.092 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -119.16 147.62 43.99 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.055 -1.831 . . . . 50.0 106.055 174.067 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -61.0 -33.15 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.693 0.997 . . . . 25.0 113.693 -173.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -85.7 27.75 0.83 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 113.551 0.945 . . . . 50.0 113.551 -173.644 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt 56.28 27.31 11.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 122.468 1.128 . . . . 25.0 111.629 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.5 m -88.05 25.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.162 -1.381 . . . . 25.0 110.637 179.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.37 152.31 42.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.059 -0.973 . . . . 50.0 110.319 -165.154 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -148.64 155.26 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.103 -1.073 . . . . 50.0 108.103 -173.306 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -136.97 149.05 47.3 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 175.441 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -156.68 173.25 17.23 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 105.888 -1.893 . . . . 50.0 105.888 -177.685 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.7 m -128.18 151.19 49.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.686 -0.487 . . . . 50.0 109.686 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.6 mt -126.82 142.01 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.27 0.557 . . . . 50.0 111.65 -177.43 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -95.3 115.2 27.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.606 -1.257 . . . . 50.0 107.606 178.883 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 m -138.26 161.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.323 0.582 . . . . 50.0 111.436 -175.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -81.76 161.35 23.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.046 -1.094 . . . . 50.0 108.046 175.807 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.7 98.22 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 177.642 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -93.87 17.61 11.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.664 0.745 . . . . 50.0 112.565 -176.041 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -66.14 132.78 49.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 177.373 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.25 150.54 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.919 0.34 . . . . 50.0 111.919 -177.646 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.84 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.14 -1.059 . . . . 50.0 108.14 169.304 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -59.58 -41.6 90.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.693 -0.685 . . . . 50.0 111.759 177.552 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -77.85 -37.14 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.713 0.768 . . . . 50.0 110.03 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -61.13 -43.2 99.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.085 -0.507 . . . . 50.0 112.334 -179.193 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -68.06 -28.08 67.06 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.627 -0.429 . . . . 50.0 111.33 179.14 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.78 68.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 176.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.58 -36.55 84.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.479 0.657 . . . . 50.0 109.491 176.21 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.31 -36.28 83.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.054 -0.521 . . . . 50.0 111.805 178.189 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.73 -44.15 97.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.657 -0.498 . . . . 25.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.59 -47.31 86.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.281 -0.418 . . . . 50.0 112.023 -178.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -75.45 -32.54 60.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.741 0.645 . . . . 50.0 112.741 -176.808 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 93.6 p -83.68 -23.1 31.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.885 -0.51 . . . . 25.0 112.097 -177.523 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.12 11.06 85.9 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.966 -0.635 . . . . 25.0 113.66 177.578 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.2 pt -127.19 145.21 53.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.562 -0.903 . . . . 50.0 108.562 178.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.89 139.03 66.07 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 116.792 -1.672 . . . . 50.0 114.065 -176.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.69 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 174.148 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.5 67.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.077 -0.51 . . . . 25.0 111.869 178.717 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -100.89 9.64 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.762 0.315 . . . . 50.0 110.743 -178.267 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -139.0 160.1 40.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.566 0.698 . . . . 50.0 112.818 -171.379 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -121.41 152.5 38.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.53 -0.544 . . . . 50.0 109.53 177.726 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -115.79 135.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.5 t -133.92 137.88 51.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.062 0.945 . . . . 50.0 109.423 -173.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -142.02 141.48 32.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.397 -1.705 . . . . 50.0 106.397 175.332 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.82 45.3 24.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.9 0.381 . . . . 25.0 110.771 -178.124 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 60.54 10.09 2.37 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.455 1.65 . . . . 50.0 115.455 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -125.78 141.84 40.43 Favored Pre-proline 0 N--CA 1.469 0.498 0 O-C-N 121.741 -0.599 . . . . 25.0 110.434 -177.61 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.57 147.85 46.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 116.185 -2.077 . . . . 50.0 112.855 -178.346 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 73.9 mt -95.47 103.24 15.1 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.244 -1.021 . . . . 50.0 108.244 178.135 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.7 p -112.77 -23.27 10.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.29 1.218 . . . . 25.0 114.29 -173.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.33 98.06 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 179.453 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.81 -25.16 66.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.173 -0.921 . . . . 25.0 112.93 -175.848 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.98 -8.63 58.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.132 0.789 . . . . 50.0 113.132 -172.836 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -87.51 145.04 26.41 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 178.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -81.45 166.46 20.34 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.773 -0.825 . . . . 50.0 108.773 173.362 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.34 -37.42 87.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.518 -0.31 . . . . 50.0 111.401 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.141 -0.35 . . . . 25.0 110.451 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.2 m -69.53 -16.76 63.5 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.656 0.243 . . . . 50.0 111.656 177.621 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -99.0 -6.69 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.578 0.228 . . . . 50.0 110.609 176.008 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.52 18.69 59.81 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.235 -0.507 . . . . 25.0 113.64 -178.247 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.07 84.04 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 117.833 0.817 . . . . 50.0 109.85 178.292 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -66.42 162.15 21.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.174 -0.921 . . . . 50.0 110.448 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -58.88 130.43 46.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 50.0 109.156 173.709 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.44 -3.84 82.06 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.059 -0.973 . . . . 25.0 113.734 179.016 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -76.19 163.98 26.53 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.539 1.169 . . . . 50.0 111.58 178.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 23.5 t -116.76 129.14 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 50.0 112.361 -173.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.74 145.46 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.197 -1.779 . . . . 50.0 106.197 174.038 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -113.15 124.89 70.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.974 -1.121 . . . . 50.0 107.974 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 11.7 tp -105.98 140.01 39.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.1 -1.815 . . . . 50.0 106.1 177.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -135.01 112.15 10.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.33 0.493 . . . . 50.0 112.33 -176.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.205 -1.242 0 CA-C-O 125.209 2.433 . . . . 50.0 110.688 175.612 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 74.8 mtm . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 124.322 2.01 . . . . 25.0 113.974 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.35 170.32 43.21 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 109.154 -1.578 . . . . 25.0 109.154 -178.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 t60 56.41 20.65 4.89 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.927 1.084 . . . . 25.0 113.927 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -70.83 -46.49 62.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 25.0 110.009 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 50.97 -155.65 0.13 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.584 -178.125 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -151.15 112.15 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 179.751 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -99.3 111.85 24.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -178.493 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -150.67 161.24 42.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.081 -0.34 . . . . 25.0 110.081 -177.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.51 -47.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.769 -0.65 . . . . 25.0 110.37 177.525 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 73.0 157.77 0.19 Allowed 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.897 1.373 . . . . 25.0 108.729 -173.468 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -117.02 168.23 10.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 -178.226 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -139.17 151.73 46.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 105.871 -1.9 . . . . 25.0 105.871 177.505 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m -139.75 142.2 36.8 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 179.599 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -107.29 5.26 27.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.087 0.47 . . . . 25.0 110.543 -178.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.02 178.29 52.32 Favored Glycine 0 CA--C 1.517 0.215 0 N-CA-C 109.277 -1.529 . . . . 25.0 109.277 -174.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -142.64 60.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.285 0.542 . . . . 25.0 109.811 179.418 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.7 mp 52.02 44.93 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-O 122.63 1.205 . . . . 25.0 109.0 -178.767 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -84.27 120.46 26.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.025 -0.989 . . . . 25.0 110.371 -175.46 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.8 168.19 35.78 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 109.402 -1.479 . . . . 25.0 109.402 179.343 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -80.84 119.26 23.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 179.286 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -153.78 157.77 39.91 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 176.133 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -146.48 152.82 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.125 -1.435 . . . . 50.0 107.125 -178.196 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.4 tp -107.33 123.51 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 -178.723 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.84 156.38 28.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.414 -0.958 . . . . 50.0 108.414 -178.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.4 m -112.55 138.36 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.962 0.41 . . . . 25.0 110.058 -179.448 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.03 124.12 66.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.991 -0.744 . . . . 50.0 108.991 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -103.45 119.0 38.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 174.611 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.6 t -97.55 125.14 42.09 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.2 t -116.73 127.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.47 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 6.4 mtm180 -119.31 146.79 44.97 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 178.674 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.13 -28.94 70.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.503 . . . . 25.0 110.07 176.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.55 24.5 1.19 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -175.797 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.8 mt 55.54 38.2 29.9 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.181 0.991 . . . . 25.0 112.744 177.271 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 m -105.85 25.59 10.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.625 -1.17 . . . . 25.0 113.19 -177.576 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.47 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 13.2 mp0 -72.38 146.94 46.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.66 0.743 . . . . 50.0 112.172 -164.843 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.88 154.3 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 -175.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 t -130.25 145.09 51.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 176.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -154.24 173.74 15.72 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.46 -1.311 . . . . 50.0 107.46 -176.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -127.12 152.63 47.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.766 -0.457 . . . . 50.0 109.766 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.11 146.84 52.51 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.926 0.49 . . . . 50.0 109.972 -177.656 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -105.07 126.13 51.74 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.333 -1.358 . . . . 50.0 107.333 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.43 165.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.476 -0.564 . . . . 50.0 109.476 -174.502 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.67 158.97 24.08 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 105.515 -2.031 . . . . 50.0 105.515 172.421 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.96 -35.08 77.42 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 174.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -90.75 13.03 17.34 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.037 0.754 . . . . 50.0 113.037 -177.058 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -67.8 133.98 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.383 -0.969 . . . . 50.0 108.383 179.421 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.87 150.13 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.454 -0.154 . . . . 50.0 110.905 -179.341 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -34.81 77.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 171.736 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -59.36 -43.55 92.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 50.0 110.663 179.473 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -77.93 -32.13 51.42 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.823 -0.351 . . . . 50.0 110.388 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -63.68 -44.52 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.072 0.397 . . . . 50.0 112.072 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -69.86 -29.19 66.37 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.164 -0.614 . . . . 50.0 110.58 -179.692 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.76 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.439 0.638 . . . . 25.0 109.543 174.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.08 -38.48 90.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 50.0 111.108 179.685 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.9 p -77.47 -25.31 50.36 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.652 -0.655 . . . . 50.0 111.516 177.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.6 -37.0 86.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 175.834 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.48 -46.21 90.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 50.0 111.725 178.585 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -77.19 -31.34 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.44 0.533 . . . . 50.0 112.44 -177.188 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 80.1 p -84.27 -19.94 33.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.092 -0.38 . . . . 25.0 111.765 -178.176 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.24 12.09 84.68 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 121.304 -0.474 . . . . 25.0 113.898 176.605 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.6 pt -132.52 145.56 57.75 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 117.229 0.515 . . . . 50.0 110.648 -179.24 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.0 134.06 41.32 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 116.797 -1.669 . . . . 50.0 114.478 -177.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.62 -24.7 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 25.0 109.618 175.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.22 -26.07 65.52 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.95 -0.568 . . . . 25.0 112.091 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -96.3 9.15 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.142 0.496 . . . . 50.0 110.974 -177.248 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.3 p -137.78 172.49 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.386 0.612 . . . . 50.0 111.145 -175.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -125.52 138.12 53.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 -179.628 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.0 tt -107.37 132.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.839 0.828 . . . . 25.0 109.198 -178.112 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.2 t -122.06 137.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.911 -1.04 . . . . 50.0 109.331 -174.174 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -138.62 135.61 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.63 -1.248 . . . . 50.0 107.63 178.245 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.4 41.56 28.37 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.309 0.576 . . . . 25.0 110.38 -175.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 59.16 12.1 2.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.527 1.677 . . . . 50.0 115.527 -177.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -117.75 141.46 29.1 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.801 -0.562 . . . . 25.0 109.575 177.202 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.79 149.74 54.71 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 115.214 -2.724 . . . . 50.0 111.845 178.818 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 74.6 mt -92.37 141.79 28.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.37 -1.715 . . . . 50.0 106.37 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.6 p -128.5 -43.58 1.41 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.109 1.522 . . . . 25.0 115.109 -174.415 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -85.44 96.67 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.637 . . . . 25.0 110.417 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -68.12 -21.31 64.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -174.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -75.81 -16.66 60.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 -174.129 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -77.96 148.68 34.36 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.038 0.447 . . . . 50.0 111.818 -176.709 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.7 m -70.67 157.17 38.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.105 -0.952 . . . . 50.0 109.934 174.015 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 66.1 mt -65.28 -35.3 80.6 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.075 0.464 . . . . 50.0 111.085 179.016 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.06 69.89 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.1 -0.375 . . . . 25.0 111.262 175.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.9 m -69.81 -16.5 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.157 0.428 . . . . 50.0 112.157 179.356 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -99.4 -5.98 28.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.997 -0.372 . . . . 50.0 109.997 174.552 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.51 21.48 62.03 Favored Glycine 0 N--CA 1.454 -0.148 0 N-CA-C 111.69 -0.564 . . . . 25.0 111.69 -176.569 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.27 81.48 3.05 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 122.115 0.959 . . . . 50.0 110.632 -178.822 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -74.6 171.64 13.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 113.511 -1.677 . . . . 50.0 114.194 -177.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.76 128.89 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.064 -0.971 . . . . 50.0 109.761 172.53 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 87.74 -2.52 85.99 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 25.0 113.341 175.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -77.42 158.73 29.89 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.143 0.972 . . . . 50.0 110.664 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 16.7 t -123.2 135.3 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.973 -171.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.91 158.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.773 -1.195 . . . . 50.0 107.773 172.819 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 66.6 mt -125.22 115.22 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.705 -0.85 . . . . 50.0 108.705 -178.834 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -96.51 131.72 42.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.981 -1.488 . . . . 50.0 106.981 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -124.68 120.11 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.686 0.279 . . . . 50.0 111.705 -177.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 125.289 2.471 . . . . 50.0 110.544 174.086 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 124.754 2.216 . . . . 25.0 112.473 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.07 45.32 3.3 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-N 112.946 -1.934 . . . . 25.0 112.902 -178.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -64.26 -15.11 59.46 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.758 1.021 . . . . 25.0 113.758 -175.346 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -125.43 22.23 7.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.078 0.466 . . . . 25.0 110.38 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -79.94 133.78 36.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 179.779 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -125.92 154.69 42.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.904 -1.517 . . . . 25.0 106.904 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -156.02 172.69 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -175.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 67.19 176.15 0.25 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.449 1.1 . . . . 25.0 112.589 178.672 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -135.59 167.16 21.62 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -177.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -111.31 68.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.48 0.657 . . . . 25.0 110.609 -177.772 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -81.47 134.79 35.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.155 -178.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -139.46 157.54 45.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.284 -1.747 . . . . 25.0 106.284 177.887 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.7 t -154.07 159.77 41.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 179.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.7 p -152.52 147.53 26.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.635 -1.617 . . . . 25.0 106.635 177.581 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.89 167.7 43.52 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 109.036 -1.626 . . . . 25.0 109.036 -175.077 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.457 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 2.8 t-80 -154.96 -164.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.818 0.809 . . . . 25.0 110.34 -178.913 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' H ' ' CG ' ' A' ' 95' ' ' HIS . 77.8 mt -76.66 110.1 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 106.019 -1.845 . . . . 25.0 106.019 174.146 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -151.65 171.78 17.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 -176.46 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.35 -169.91 46.12 Favored Glycine 0 C--O 1.239 0.46 0 N-CA-C 111.014 -0.835 . . . . 25.0 111.014 -175.821 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -150.13 86.22 1.42 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 117.66 0.73 . . . . 25.0 110.7 179.622 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -115.73 163.94 15.08 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 -173.589 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -145.83 161.61 39.57 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.98 -1.119 . . . . 50.0 107.98 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.0 tp -107.68 135.09 49.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 50.0 110.787 -177.382 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.6 mt -124.94 146.04 49.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.803 -0.814 . . . . 50.0 108.803 177.321 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -102.49 136.99 41.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 177.294 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.06 130.24 74.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.925 -1.139 . . . . 50.0 107.925 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -119.49 108.04 14.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.8 m -97.86 121.28 39.59 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 122.363 0.265 . . . . 25.0 110.291 -176.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.6 t -109.87 132.29 58.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 122.703 0.401 . . . . 50.0 111.933 -175.503 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -113.59 151.21 31.98 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.393 -0.965 . . . . 50.0 108.393 172.565 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -62.65 -32.1 73.08 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.873 0.368 . . . . 25.0 111.163 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.54 31.31 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.134 0.79 . . . . 50.0 113.134 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt 52.93 39.78 29.82 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 122.431 1.11 . . . . 25.0 112.384 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.98 25.19 11.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.364 -1.289 . . . . 25.0 112.252 -177.211 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -72.37 152.42 42.06 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.073 0.94 . . . . 50.0 113.256 -170.569 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.8 p -145.49 152.52 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.274 -1.75 . . . . 50.0 106.274 -176.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -139.92 148.94 42.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.632 -1.248 . . . . 25.0 107.632 176.879 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -157.31 174.1 15.95 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.235 -1.765 . . . . 50.0 106.235 -176.394 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 56.1 m -126.51 146.77 49.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.731 -0.84 . . . . 50.0 108.731 178.322 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.76 147.66 50.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.527 -0.916 . . . . 50.0 108.527 -178.33 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -108.28 128.32 54.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.545 -1.28 . . . . 50.0 107.545 177.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.83 160.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.337 -0.616 . . . . 50.0 109.337 -177.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.22 160.74 30.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.22 0.533 . . . . 50.0 110.026 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.45 81.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.221 0.534 . . . . 25.0 109.982 175.855 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -98.64 16.12 23.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.858 -0.61 . . . . 50.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.2 143.2 57.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.679 -0.489 . . . . 50.0 109.679 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.04 139.81 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 50.0 111.329 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.63 -33.26 72.52 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.511 -0.922 . . . . 50.0 108.511 175.017 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -54.23 -48.25 71.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.525 -0.307 . . . . 50.0 111.641 175.311 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -77.82 -29.41 50.65 Favored 'General case' 0 C--O 1.211 -0.924 0 C-N-CA 120.959 -0.297 . . . . 50.0 111.195 -176.084 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.4 -38.71 90.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.963 0.411 . . . . 50.0 111.295 176.399 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -60.98 -49.54 77.04 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 108.913 -0.773 . . . . 50.0 108.913 175.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.13 83.67 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.036 -0.984 . . . . 25.0 111.521 -179.019 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.8 mp -64.91 -47.63 77.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.134 -0.354 . . . . 50.0 111.187 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 17.6 p -72.1 -25.42 61.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.022 -0.671 . . . . 50.0 111.179 -178.488 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.39 -46.74 72.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.45 -43.61 85.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 50.0 111.522 -179.241 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -65.46 -35.34 80.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.255 0.55 . . . . 50.0 110.789 -178.755 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.5 m -81.69 -26.24 34.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.748 178.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.39 33.02 49.72 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.048 -0.596 . . . . 25.0 112.165 179.504 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.5 pt -120.17 154.44 55.98 Favored Pre-proline 0 C--O 1.217 -0.658 0 O-C-N 122.671 -0.311 . . . . 50.0 111.486 -173.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -73.88 138.7 26.38 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 115.904 -2.264 . . . . 50.0 111.941 174.736 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.35 -32.53 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.885 -0.509 . . . . 25.0 111.561 175.228 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.04 -24.57 67.15 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.6 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -104.16 15.62 28.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.316 0.246 . . . . 50.0 111.142 -177.678 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.8 p -127.97 154.49 45.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.152 1.167 . . . . 50.0 114.152 -176.133 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -138.99 136.39 35.31 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.917 -1.512 . . . . 50.0 106.917 173.314 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -114.81 133.67 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.239 0.543 . . . . 25.0 109.88 -173.593 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.87 136.42 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.625 0.77 . . . . 50.0 110.85 -171.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -132.62 135.52 45.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.598 -1.26 . . . . 50.0 107.598 176.214 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.46 47.39 22.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 123.272 0.358 . . . . 25.0 110.913 -179.126 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 62.88 2.99 1.08 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.726 1.75 . . . . 50.0 115.726 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -117.2 138.01 24.49 Favored Pre-proline 0 N--CA 1.468 0.435 0 O-C-N 121.763 -0.586 . . . . 25.0 109.69 -178.445 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.13 146.86 47.24 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 115.794 -2.338 . . . . 50.0 113.457 -176.115 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.44 58.56 2.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 176.707 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -37.45 71.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.322 -0.854 . . . . 25.0 111.144 -177.21 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -75.02 129.84 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 178.226 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.76 4.24 47.68 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.853 174.919 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.3 1.68 24.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 118.808 2.892 . . . . 50.0 118.808 -165.325 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 164' ' ' TYR . 99.8 mtt180 -137.38 166.1 24.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.563 0.62 . . . . 50.0 110.284 -178.276 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 162.49 27.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.098 -0.501 . . . . 50.0 111.142 175.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.84 -45.74 91.48 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.785 0.661 . . . . 50.0 112.785 -177.786 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.12 70.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.891 0.377 . . . . 25.0 110.724 178.728 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.1 t -72.77 -16.53 61.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.381 0.512 . . . . 50.0 112.381 178.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.402 ' CE2' ' HB2' ' A' ' 159' ' ' ARG . 57.5 m-85 -95.22 -2.05 50.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.828 -0.804 . . . . 50.0 108.828 173.592 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.39 20.58 60.09 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.233 -0.439 . . . . 25.0 112.606 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.15 80.46 4.57 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.785 -0.82 . . . . 50.0 108.785 -177.827 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.17 160.9 31.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.005 -0.998 . . . . 50.0 113.189 -177.581 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.32 128.43 35.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.806 -1.088 . . . . 50.0 109.225 171.592 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.44 -2.09 77.25 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.486 -0.779 . . . . 25.0 114.059 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.72 164.72 23.49 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.572 1.186 . . . . 50.0 112.19 178.852 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.7 130.74 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 50.0 111.446 -175.106 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.66 136.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.806 -1.553 . . . . 50.0 106.806 178.178 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.2 mt -111.18 128.92 67.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.368 -0.975 . . . . 50.0 108.368 -178.271 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.8 tt -115.51 143.67 44.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.242 -1.392 . . . . 50.0 107.242 178.474 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -118.68 133.12 56.08 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.071 -1.085 . . . . 50.0 108.071 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 123.466 1.603 . . . . 50.0 110.941 -179.164 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 122.864 1.316 . . . . 25.0 113.509 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.88 -6.97 79.4 Favored Glycine 0 C--N 1.341 0.826 0 O-C-N 121.245 -0.909 . . . . 25.0 113.144 179.265 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -81.87 67.14 7.74 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 175.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -120.33 159.8 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -173.873 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.81 157.12 16.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.691 -1.596 . . . . 25.0 106.691 174.271 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -121.04 133.14 55.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.743 0.306 . . . . 25.0 110.178 -176.141 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -148.08 117.38 6.91 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -157.45 133.81 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 178.175 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -138.97 157.43 46.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 177.164 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -96.02 134.69 38.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -179.442 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -138.1 163.3 31.97 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 177.218 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -67.65 151.25 47.59 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.07 -0.344 . . . . 25.0 110.07 179.491 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.5 t -148.57 176.45 10.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 178.885 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.2 m 53.34 -136.09 1.41 Allowed 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.639 0.587 . . . . 25.0 110.552 -177.762 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 85.39 -2.65 87.99 Favored Glycine 0 N--CA 1.461 0.367 0 CA-C-O 122.001 0.778 . . . . 25.0 111.22 -176.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -80.07 161.93 25.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.704 -1.591 . . . . 25.0 106.704 176.365 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.8 pt -64.75 154.4 7.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 108.369 -0.975 . . . . 25.0 108.369 174.447 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.73 157.34 37.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.842 -0.617 . . . . 25.0 112.383 -174.062 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.42 22.54 37.03 Favored Glycine 0 C--N 1.33 0.215 0 N-CA-C 111.422 -0.671 . . . . 25.0 111.422 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -80.5 116.08 20.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.339 -0.507 . . . . 25.0 110.276 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -99.74 161.56 13.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 104.129 -2.545 . . . . 25.0 104.129 174.388 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -151.18 172.16 16.25 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.675 -0.491 . . . . 50.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -119.75 132.25 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.267 -0.642 . . . . 50.0 109.267 -179.495 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.7 mt -121.69 153.85 37.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.75 -1.204 . . . . 50.0 107.75 176.256 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -107.27 137.49 45.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 178.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.02 128.57 73.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.52 -0.548 . . . . 50.0 109.52 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -108.83 122.0 46.26 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.821 -1.177 . . . . 25.0 107.821 175.536 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 96.6 m -113.47 117.97 33.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.026 0.917 . . . . 25.0 111.731 -177.003 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.1 t -91.7 113.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.598 -1.183 . . . . 50.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -91.76 145.45 24.57 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.129 -1.063 . . . . 50.0 108.129 174.285 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -58.64 -34.2 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.336 0.589 . . . . 25.0 111.365 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.63 19.08 3.02 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.381 1.252 . . . . 50.0 114.381 -173.154 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.6 mt 58.95 26.04 14.5 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 122.569 1.175 . . . . 25.0 111.057 -177.351 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.1 m -87.08 25.83 1.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 125.572 1.549 . . . . 25.0 110.27 177.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.94 149.3 45.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.328 -0.851 . . . . 50.0 110.194 -163.169 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.88 156.46 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.688 -1.142 . . . . 50.0 110.082 -166.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -128.14 145.93 50.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 174.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -154.52 173.95 15.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.352 -1.721 . . . . 50.0 106.352 178.172 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -127.6 146.9 50.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.74 -0.467 . . . . 50.0 109.74 179.543 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -119.67 144.77 47.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.09 -0.505 . . . . 50.0 110.474 -178.296 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -100.56 124.25 45.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.761 -1.941 . . . . 50.0 105.761 175.85 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.1 m -140.7 165.34 20.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 -174.271 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -87.34 164.47 16.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.314 -0.995 . . . . 50.0 108.314 174.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.06 99.17 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -94.36 17.85 12.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.842 0.829 . . . . 50.0 112.299 -175.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.06 133.53 55.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.442 -0.577 . . . . 50.0 109.442 179.132 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -63.97 149.09 48.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.455 -0.202 . . . . 50.0 110.455 179.443 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -36.77 85.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.062 -1.088 . . . . 50.0 108.062 168.52 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -58.36 -39.85 80.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.858 -0.61 . . . . 50.0 111.894 177.621 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -77.99 -36.44 48.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.698 0.761 . . . . 50.0 110.084 177.584 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.27 -45.58 92.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.696 -0.627 . . . . 50.0 112.186 179.242 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.98 69.25 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.262 -0.575 . . . . 50.0 110.11 178.826 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.62 71.25 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.076 0.398 . . . . 25.0 110.044 177.454 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.45 -40.65 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 50.0 109.6 177.474 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.9 t -62.94 -43.5 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.177 -0.465 . . . . 50.0 110.614 177.764 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.09 -42.63 90.95 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.273 0.629 . . . . 25.0 110.8 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.89 -50.43 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.23 -0.441 . . . . 50.0 112.021 179.479 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -70.36 -33.32 71.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.069 0.461 . . . . 50.0 111.774 -177.705 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.1 m -77.56 -28.93 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 -177.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.57 11.4 85.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.864 -0.684 . . . . 25.0 112.583 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.8 pt -131.46 141.61 42.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.723 -1.214 . . . . 50.0 107.723 179.081 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -64.09 135.69 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 116.19 -2.073 . . . . 50.0 113.013 -178.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.29 69.53 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.192 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.76 -25.04 64.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.863 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.11 19.15 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.53 -0.915 . . . . 50.0 108.53 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 m -140.58 179.21 6.81 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 -176.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -128.26 150.82 49.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.355 -1.35 . . . . 50.0 107.355 172.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.14 133.85 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.415 0.626 . . . . 25.0 111.242 -176.008 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 144.62 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.196 0.522 . . . . 50.0 110.917 -173.454 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -145.81 135.69 23.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.698 -1.593 . . . . 50.0 106.698 177.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.18 43.01 29.39 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 122.757 0.423 . . . . 25.0 111.112 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 59.79 7.19 1.03 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.623 1.712 . . . . 50.0 115.623 -178.33 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -113.41 137.35 22.06 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.063 -0.718 . . . . 25.0 109.063 178.787 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.8 148.18 64.24 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 115.476 -2.549 . . . . 50.0 111.436 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.2 75.25 7.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.779 -0.823 . . . . 50.0 108.779 -178.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 38.2 p -90.51 -30.52 17.23 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.805 2.15 . . . . 25.0 116.805 -172.4 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -83.13 86.09 7.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 -172.31 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -61.23 -21.4 63.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.81 -2.7 55.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.836 0.68 . . . . 50.0 112.836 -179.471 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -87.14 152.87 21.96 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.464 -0.569 . . . . 50.0 109.464 176.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 11.0 m -86.24 166.31 15.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 171.047 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.39 -35.98 81.7 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.785 -0.572 . . . . 50.0 110.637 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.14 69.31 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.197 -0.315 . . . . 25.0 111.117 174.419 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.4 m -70.47 -16.57 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.441 0.534 . . . . 50.0 112.441 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -97.68 -6.04 33.95 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 174.575 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.61 71.83 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.712 -0.955 . . . . 25.0 110.712 -175.117 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.17 81.68 1.8 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 121.449 0.642 . . . . 50.0 109.639 -178.565 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 164.06 20.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.378 -0.828 . . . . 50.0 111.682 -178.589 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.48 119.3 3.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.512 0.93 . . . . 50.0 113.512 -177.025 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.83 -9.41 51.58 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.404 -0.816 . . . . 25.0 113.991 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -66.99 153.77 42.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 118.105 0.953 . . . . 50.0 110.591 178.581 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.94 127.87 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.494 -0.775 . . . . 50.0 110.856 -176.8 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.9 142.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 106.537 -1.653 . . . . 50.0 106.537 176.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 90.6 mt -118.8 126.31 75.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.38 -0.6 . . . . 50.0 109.38 -178.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.72 133.54 53.02 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.242 -1.762 . . . . 50.0 106.242 175.257 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -124.32 120.38 31.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.53 0.681 . . . . 50.0 112.416 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 . . . . . 0 C--O 1.21 -1.02 0 CA-C-O 124.094 1.902 . . . . 50.0 110.278 171.287 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 124.829 2.252 . . . . 25.0 112.46 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.13 169.99 43.13 Favored Glycine 0 C--O 1.225 -0.416 0 CA-C-N 113.331 -1.759 . . . . 25.0 109.156 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.87 -48.77 2.74 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 117.367 0.584 . . . . 25.0 111.845 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.3 t60 51.55 37.97 21.05 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 179.489 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -71.6 132.07 44.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 178.313 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -151.21 116.28 5.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.892 0.33 . . . . 25.0 111.892 -176.442 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -146.69 155.92 42.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.466 -1.309 . . . . 25.0 107.466 176.841 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -151.51 140.98 21.57 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.334 -1.358 . . . . 25.0 107.334 178.592 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -137.17 145.4 43.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 -177.511 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.55 116.22 4.46 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 -179.626 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -140.6 167.55 21.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.326 -0.62 . . . . 25.0 109.326 -176.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 53.18 36.72 23.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.266 1.21 . . . . 25.0 114.266 175.219 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 m -88.66 -3.18 58.84 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.242 1.201 . . . . 25.0 114.242 -176.838 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.1 m -118.67 143.34 46.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -175.67 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.12 167.53 38.29 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 108.835 -1.706 . . . . 25.0 108.835 177.298 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -160.57 171.74 18.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.35 -2.093 . . . . 25.0 105.35 178.002 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.7 pt -133.97 165.05 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 176.104 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -134.3 162.06 33.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.192 -1.41 . . . . 25.0 107.192 177.058 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.82 134.03 3.85 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 108.827 -1.709 . . . . 25.0 108.827 176.468 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -77.91 126.5 30.93 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 -178.522 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -163.64 -179.48 6.44 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 101.592 -3.484 . . . . 25.0 101.592 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -137.03 152.18 49.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.049 -1.093 . . . . 50.0 108.049 172.638 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.4 tp -102.08 131.96 48.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.35 -0.611 . . . . 50.0 109.35 -178.532 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.83 151.74 44.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 176.205 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 138.72 43.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.15 123.3 65.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.802 -0.814 . . . . 50.0 108.802 178.37 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -103.73 120.33 40.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.767 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -97.49 123.26 41.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 179.306 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.62 124.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.822 -0.626 . . . . 50.0 110.206 -179.588 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -123.06 143.89 49.66 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 107.856 -1.165 . . . . 50.0 107.856 174.074 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.81 -25.03 64.63 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -175.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.47 28.63 1.92 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.887 0.375 . . . . 50.0 111.96 -176.02 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt 54.58 32.73 17.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 122.235 1.017 . . . . 25.0 112.286 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.15 25.63 2.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.713 -1.131 . . . . 25.0 109.553 179.364 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -72.33 148.02 45.76 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.575 -1.193 . . . . 50.0 111.37 -168.636 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -155.16 148.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 107.888 -1.152 . . . . 50.0 107.888 -178.187 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 t -124.9 144.78 50.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.618 -1.623 . . . . 25.0 106.618 175.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -150.8 170.78 18.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.147 -1.797 . . . . 50.0 106.147 -178.461 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.5 p -128.46 152.84 47.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.672 -0.862 . . . . 50.0 108.672 -179.708 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.65 148.93 52.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.361 -0.607 . . . . 50.0 109.361 -175.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -103.35 125.42 49.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.982 -1.488 . . . . 50.0 106.982 177.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.42 163.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.723 -0.473 . . . . 50.0 109.723 -177.244 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.3 -1.371 . . . . 50.0 107.3 173.649 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.37 90.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 175.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -95.46 19.25 11.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 50.0 112.539 -177.473 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.8 134.03 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.823 -0.806 . . . . 50.0 108.823 178.108 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.62 145.85 50.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.059 0.392 . . . . 50.0 112.059 -177.376 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -26.67 68.67 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.422 0.63 . . . . 50.0 109.446 169.861 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -63.57 -44.68 93.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.694 -0.685 . . . . 50.0 110.614 179.541 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -77.33 -33.36 55.52 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.865 0.364 . . . . 50.0 110.285 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -61.9 -41.95 98.49 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 50.0 113.45 -178.35 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -65.72 -30.98 71.73 Favored 'General case' 0 C--O 1.216 -0.696 0 C-N-CA 119.995 -0.682 . . . . 50.0 110.441 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.71 64.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.085 0.469 . . . . 25.0 109.975 175.285 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -64.73 -45.03 88.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 50.0 110.836 -178.564 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.8 p -75.55 -25.52 57.21 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.563 -0.455 . . . . 50.0 111.241 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -65.77 -45.33 82.92 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 176.346 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.71 -45.35 93.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.159 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.82 -35.93 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.72 0.637 . . . . 50.0 112.72 -177.012 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.6 p -84.06 -21.29 31.59 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.79 -0.569 . . . . 25.0 112.135 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.09 9.65 86.4 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 121.158 -0.544 . . . . 25.0 113.829 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.46 144.14 52.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 117.336 0.568 . . . . 50.0 110.062 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -63.93 138.56 63.46 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 117.303 -1.331 . . . . 50.0 115.384 -175.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.5 -29.4 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.389 -0.967 . . . . 25.0 108.389 172.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.648 -0.706 . . . . 25.0 112.761 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -99.93 8.23 44.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.506 . . . . 50.0 111.172 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 71.7 p -134.45 177.26 7.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.354 -0.61 . . . . 50.0 109.354 -176.407 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -127.41 116.09 19.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.327 0.584 . . . . 50.0 109.731 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -88.75 131.19 36.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 179.4 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.7 p -140.56 141.05 33.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.514 0.673 . . . . 50.0 109.875 -174.361 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -142.39 134.03 26.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.174 -1.417 . . . . 50.0 107.174 179.35 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 43.53 25.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.015 0.436 . . . . 25.0 110.686 -177.171 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 60.61 8.52 1.75 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.305 1.594 . . . . 50.0 115.305 -178.34 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -112.27 135.46 21.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 121.818 -0.551 . . . . 25.0 110.055 178.9 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -70.95 149.97 60.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 115.985 -2.21 . . . . 50.0 112.13 179.237 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 61.7 mt -102.71 77.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.319 0.581 . . . . 50.0 111.058 -178.693 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 34.3 p -92.04 -43.64 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -176.032 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.54 117.92 17.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.161 0.801 . . . . 25.0 113.161 -172.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -78.51 1.86 21.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.664 177.015 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -72.07 3.59 4.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.087 1.143 . . . . 50.0 114.087 -176.089 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -144.51 150.97 38.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.815 -0.553 . . . . 50.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 23.2 p -83.05 167.83 17.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.289 -0.869 . . . . 50.0 109.012 174.149 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -42.19 98.08 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.297 0.48 . . . . 50.0 112.297 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.09 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.871 -0.518 . . . . 25.0 110.851 178.398 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.1 -16.58 63.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.142 0.423 . . . . 50.0 112.142 178.084 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -97.13 -3.58 40.84 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 110.114 -0.328 . . . . 50.0 110.114 174.319 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 94.01 9.46 59.53 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-O 119.527 -0.596 . . . . 25.0 114.104 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.47 85.29 1.52 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.105 0.952 . . . . 50.0 109.809 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -76.6 166.25 23.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.476 -0.783 . . . . 50.0 110.017 175.457 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.27 129.02 33.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 50.0 109.574 174.577 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.59 -8.25 68.66 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.7 -0.682 . . . . 25.0 114.357 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.4 160.13 29.84 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 117.952 0.876 . . . . 50.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.1 131.53 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 113.117 0.784 . . . . 50.0 113.117 -172.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 51.6 t -109.73 146.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.782 -1.562 . . . . 50.0 106.782 176.603 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 89.1 mt -118.81 134.0 63.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.066 -1.087 . . . . 50.0 108.066 178.805 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.8 126.01 50.89 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.002 -1.481 . . . . 50.0 107.002 177.253 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -119.96 119.49 33.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.965 0.728 . . . . 50.0 112.965 -172.474 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 125.15 2.405 . . . . 50.0 111.168 175.306 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 . . . . . 0 CA--C 1.518 -0.269 0 N-CA-C 104.689 -2.337 . . . . 25.0 104.689 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -152.37 154.65 36.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.8 tp -104.88 130.03 53.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.157 -0.474 . . . . 25.0 110.843 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.99 145.34 45.9 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 m -99.52 139.44 35.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.427 -0.583 . . . . 25.0 109.427 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.13 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.969 -1.123 . . . . 25.0 107.969 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -120.24 110.55 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 75.3 m -99.22 126.43 45.01 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.7 t -114.62 128.64 71.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.409 0.623 . . . . 25.0 111.69 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.449 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 40.5 mtp180 -117.79 141.95 47.83 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 104.686 -2.339 . . . . 25.0 104.686 169.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -67.66 -9.08 40.14 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.54 0.686 . . . . 25.0 111.357 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.55 12.4 10.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.718 1.207 . . . . 25.0 111.71 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.3 mt 58.05 25.31 12.17 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.459 1.103 . . . . 25.0 112.992 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.449 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 1.0 OUTLIER -97.14 25.37 5.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.321 176.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -72.33 148.8 44.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.285 -0.871 . . . . 25.0 109.914 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.9 p -149.69 153.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 107.851 -1.166 . . . . 25.0 107.851 -171.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -135.76 146.96 48.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -156.67 177.5 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.094 -1.817 . . . . 25.0 106.094 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.5 p -131.98 155.01 48.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.789 -0.819 . . . . 25.0 108.789 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.0 mt -132.75 144.67 50.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.835 0.454 . . . . 25.0 111.339 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -93.44 126.36 38.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.9 m -140.74 165.78 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.985 0.421 . . . . 25.0 110.136 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -83.84 160.58 21.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.93 92.92 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.798 -0.564 . . . . 25.0 109.831 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.55 17.5 16.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.622 0.725 . . . . 25.0 112.222 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.64 137.46 58.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.83 146.95 53.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.155 -0.341 . . . . 25.0 110.189 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.84 -33.06 74.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.624 -1.25 . . . . 25.0 107.624 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.2 -41.0 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.667 -0.697 . . . . 25.0 112.785 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -80.52 -37.87 30.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.704 0.764 . . . . 25.0 109.796 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.77 -44.36 96.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.707 -0.621 . . . . 25.0 112.05 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -27.93 68.88 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.835 -0.54 . . . . 25.0 110.707 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.29 -38.58 71.77 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.08 -37.3 85.44 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.175 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.33 -41.26 98.88 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 120.823 0.344 . . . . 25.0 110.085 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.6 -44.23 97.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.999 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.92 -51.5 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.84 -35.18 69.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.969 0.414 . . . . 25.0 112.051 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.0 t -82.97 -22.97 33.57 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -176.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.44 16.61 80.59 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.292 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.7 pt -131.38 138.69 33.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -63.91 140.02 70.95 Favored 'Trans proline' 0 C--N 1.349 0.571 0 N-CA-C 116.058 1.522 . . . . 25.0 116.058 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.69 68.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.188 -0.915 . . . . 25.0 108.642 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.88 65.81 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.375 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -103.37 11.62 36.38 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.456 0.646 . . . . 25.0 110.683 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -143.25 171.25 14.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.64 0.733 . . . . 25.0 112.377 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -131.59 153.35 49.99 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.7 133.46 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.088 -1.079 . . . . 25.0 108.088 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.77 138.65 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.407 -0.815 . . . . 25.0 110.104 -170.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -141.52 140.53 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 44.71 26.27 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.063 0.458 . . . . 25.0 110.857 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.688 1.736 . . . . 25.0 115.688 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -126.45 141.1 39.04 Favored Pre-proline 0 N--CA 1.47 0.561 0 O-C-N 121.415 -0.803 . . . . 25.0 112.242 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -64.89 146.07 87.16 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 116.259 -2.027 . . . . 25.0 112.644 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.17 92.26 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.299 -1.371 . . . . 25.0 107.299 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -85.4 -25.79 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.815 1.043 . . . . 25.0 113.815 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.41 103.74 15.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.769 0.795 . . . . 25.0 111.463 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -63.59 -27.7 69.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.205 -0.907 . . . . 25.0 111.038 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -90.75 23.2 3.19 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 143.87 33.81 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 105.073 -2.195 . . . . 25.0 105.073 170.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.4 p -86.34 160.97 18.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.39 -42.25 98.41 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.874 0.369 . . . . 25.0 111.581 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.99 -30.16 68.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 59.8 p -75.74 -17.25 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.708 -0.397 . . . . 25.0 111.926 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -88.9 -13.89 38.05 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 87.91 12.38 66.27 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 110.663 -0.975 . . . . 25.0 110.663 -174.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.85 82.92 2.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.433 -0.581 . . . . 25.0 109.433 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.86 176.09 5.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 25.0 112.259 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.99 127.09 17.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.782 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.36 -10.73 69.29 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.172 -0.922 . . . . 25.0 114.033 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.11 160.75 30.09 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 117.908 0.854 . . . . 25.0 111.43 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 14.5 t -125.13 137.14 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.3 m -118.75 155.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.46 121.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.2 tt -102.26 134.5 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -123.99 109.29 13.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.872 0.469 . . . . 25.0 110.939 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 123.86 1.79 . . . . 25.0 111.804 179.388 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -135.14 161.05 36.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 123.736 0.647 . . . . 25.0 110.405 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.23 134.66 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.03 0.532 . . . . 25.0 110.06 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.52 150.88 47.03 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.6 m -103.98 136.44 43.62 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.4 t -125.08 126.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -112.67 109.84 19.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 35.0 t -97.5 129.84 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.49 131.8 72.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 120.959 0.409 . . . . 25.0 111.7 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -126.97 147.16 50.12 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -28.77 63.74 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.041 0.448 . . . . 25.0 111.29 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -74.72 9.2 1.93 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 114.423 1.268 . . . . 25.0 114.423 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.5 mt 59.21 26.84 15.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 122.417 1.104 . . . . 25.0 110.277 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t -90.99 21.44 4.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.888 -1.506 . . . . 25.0 107.628 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.54 151.57 42.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.01 -0.995 . . . . 25.0 111.311 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -153.41 148.8 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 t -127.56 137.94 52.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.82 175.36 12.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.846 -1.538 . . . . 25.0 106.846 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -129.25 147.89 51.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -131.87 150.52 52.13 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 135.91 44.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.1 m -140.31 158.98 25.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -83.79 166.02 18.34 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.05 88.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.57 0.7 . . . . 25.0 110.653 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.3 2.89 51.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.394 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.7 126.58 28.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.387 -0.597 . . . . 25.0 109.387 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 160' ' ' SER . 47.0 mt-10 -78.48 153.56 31.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 25.0 111.687 -175.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -36.04 79.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.14 177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -57.77 -45.99 85.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.124 0.488 . . . . 25.0 109.697 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.5 -35.58 77.7 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.263 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -63.86 -36.39 83.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.704 -0.622 . . . . 25.0 112.521 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -66.03 -43.11 88.55 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.56 95.83 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.558 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.96 -42.42 89.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -73.36 -25.41 60.58 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.237 -0.585 . . . . 25.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -67.82 -42.71 81.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.14 -46.49 86.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.517 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -68.54 -42.9 77.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.216 0.532 . . . . 25.0 111.979 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.2 t -75.73 -26.94 57.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.22 14.64 81.71 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.785 -0.526 . . . . 25.0 111.785 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.61 130.01 22.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.26 131.93 49.2 Favored 'Trans proline' 0 C--N 1.352 0.761 0 N-CA-C 115.684 1.378 . . . . 25.0 115.684 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.2 -23.58 63.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.45 69.25 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.845 0.355 . . . . 25.0 110.9 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -84.48 15.01 3.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.86 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.8 p -139.03 169.36 17.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 116.675 2.102 . . . . 25.0 116.675 -172.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -117.5 149.36 40.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.996 -1.853 . . . . 25.0 105.996 168.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -116.6 131.37 69.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.213 -1.403 . . . . 25.0 107.213 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 123.729 0.811 . . . . 25.0 110.442 -169.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -140.87 142.06 34.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.59 -1.634 . . . . 25.0 106.59 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.89 44.78 28.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.188 0.518 . . . . 25.0 110.141 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.18 10.04 1.54 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.999 1.852 . . . . 25.0 115.999 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -127.94 146.6 59.7 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 121.594 -0.691 . . . . 25.0 111.408 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.89 150.56 55.52 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 116.2 -2.067 . . . . 25.0 112.975 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 54.1 mt -90.28 140.79 29.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.9 p -126.46 -43.45 1.75 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.848 1.796 . . . . 25.0 115.848 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -80.54 98.28 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -76.47 -12.05 59.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.76 -17.99 32.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.327 0.584 . . . . 25.0 110.627 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -65.81 150.57 48.34 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 120.577 -0.449 . . . . 25.0 110.346 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 95.0 p -77.82 162.6 26.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 171.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.7 mt -67.18 -33.13 74.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.199 0.523 . . . . 25.0 110.006 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.2 70.06 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.358 -0.383 . . . . 25.0 111.228 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.2 m -69.85 -16.48 63.27 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.02 0.378 . . . . 25.0 112.02 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -99.12 -7.09 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.73 24.15 54.0 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.223 -0.751 . . . . 25.0 111.223 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.59 83.35 1.54 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.55 164.89 22.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.707 -0.679 . . . . 25.0 112.007 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -54.87 128.64 34.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.234 -0.893 . . . . 25.0 110.217 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.69 -11.83 64.59 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.795 -0.639 . . . . 25.0 114.519 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.75 150.57 48.31 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.314 1.057 . . . . 25.0 111.351 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.66 130.13 65.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.392 -0.822 . . . . 25.0 109.53 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.4 t -116.96 139.14 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.3 132.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 18.5 tp -116.86 127.86 54.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.311 -1.737 . . . . 25.0 106.311 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -122.94 107.83 12.28 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.792 -0.567 . . . . 25.0 111.162 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 123.693 1.711 . . . . 25.0 111.586 178.55 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 . . . . . 0 C--O 1.239 0.542 0 N-CA-C 102.237 -3.246 . . . . 25.0 102.237 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -143.01 161.35 38.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.428 0.558 . . . . 25.0 109.725 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.77 135.0 54.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -127.13 157.84 38.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 m -111.5 143.91 41.58 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.1 t -125.05 119.38 55.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -101.21 108.94 20.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -94.19 124.95 38.52 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.39 127.28 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.421 0.629 . . . . 25.0 110.846 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -110.41 142.97 41.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -70.05 -8.23 47.55 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 121.224 0.535 . . . . 25.0 110.857 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -99.2 15.97 24.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.079 -0.964 . . . . 25.0 109.641 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt 57.13 25.21 10.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.32 26.05 1.76 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.686 0.755 . . . . 25.0 110.31 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.35 150.58 43.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.86 -1.064 . . . . 25.0 113.208 -172.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -153.2 154.48 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -130.06 141.96 50.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -153.72 170.73 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -126.08 151.83 46.67 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.239 0.472 . . . . 25.0 110.711 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.01 148.5 48.43 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.15 139.84 37.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.503 -0.925 . . . . 25.0 108.503 176.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.31 167.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -83.58 162.5 20.81 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.85 97.67 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 122.122 -0.361 . . . . 25.0 111.326 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -96.44 18.14 14.62 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.602 0.715 . . . . 25.0 111.37 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.74 126.79 28.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.21 148.73 49.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.592 -0.277 . . . . 25.0 110.927 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.75 -29.83 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.192 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -59.35 -43.94 92.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.073 0.463 . . . . 25.0 110.355 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -77.86 -34.18 51.84 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.356 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -64.62 -41.95 95.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -27.33 66.31 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.691 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.44 64.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.94 -43.55 78.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.335 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.3 p -74.92 -25.36 58.85 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.134 -0.626 . . . . 25.0 111.241 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -65.49 -41.58 93.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.67 -48.11 78.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.583 -0.281 . . . . 25.0 111.575 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -68.31 -38.94 82.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.093 0.473 . . . . 25.0 112.014 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 t -82.1 -21.55 36.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.52 27.48 73.41 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.02 -0.61 . . . . 25.0 114.151 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 37.9 pt -126.4 146.8 57.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -64.98 132.88 33.65 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 115.915 -2.257 . . . . 25.0 112.788 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.38 -28.24 69.56 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.899 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.57 -25.38 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -97.16 11.62 35.66 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.264 0.554 . . . . 25.0 110.79 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.4 p -146.53 173.49 12.27 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 -174.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -138.62 144.91 39.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 25.0 110.736 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -100.08 133.18 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.841 0.829 . . . . 25.0 108.823 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.02 133.88 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.059 -0.973 . . . . 25.0 108.69 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -138.58 141.61 39.2 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.31 41.64 28.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.212 0.53 . . . . 25.0 109.93 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 59.63 11.34 2.34 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.484 1.661 . . . . 25.0 115.484 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -124.58 146.5 52.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 O-C-N 121.499 -0.75 . . . . 25.0 111.586 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.74 150.34 62.07 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 115.785 -2.343 . . . . 25.0 112.54 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.52 137.0 32.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 82.6 p -126.25 -6.54 6.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.701 2.111 . . . . 25.0 116.701 -170.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -122.19 99.73 6.58 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.821 0.819 . . . . 25.0 109.022 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -75.84 -11.97 60.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.96 -5.97 58.92 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.665 -0.647 . . . . 25.0 110.816 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -86.53 148.76 25.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 54.8 p -81.85 162.35 22.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.379 -0.828 . . . . 25.0 110.121 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.11 -34.64 78.5 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.07 0.462 . . . . 25.0 111.628 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.76 70.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.517 -0.311 . . . . 25.0 111.315 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -68.47 -18.25 64.37 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.256 -0.277 . . . . 25.0 111.577 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -102.15 -2.44 29.32 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.206 0.527 . . . . 25.0 110.618 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.52 60.37 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-O 119.161 -0.799 . . . . 25.0 113.732 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.46 86.0 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.145 0.972 . . . . 25.0 109.83 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -80.55 163.64 23.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.682 0.754 . . . . 25.0 110.801 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -56.11 122.14 11.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.661 0.744 . . . . 25.0 112.127 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.47 -7.6 56.21 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.514 -0.767 . . . . 25.0 113.454 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -69.51 158.26 35.56 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.165 0.983 . . . . 25.0 109.378 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.58 141.94 44.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.678 -0.692 . . . . 25.0 110.053 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.63 159.27 17.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.277 -1.379 . . . . 25.0 107.277 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.19 120.9 65.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -98.61 123.22 42.66 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.796 -2.298 . . . . 25.0 104.796 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.06 117.32 28.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.359 -0.838 . . . . 25.0 111.343 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 126.483 3.04 . . . . 25.0 111.296 176.767 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 CA--C 1.516 -0.339 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -110.59 162.47 14.69 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 134.64 53.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.12 152.47 41.07 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.1 m -102.65 140.13 37.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.777 -1.194 . . . . 25.0 107.777 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.07 130.37 73.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -116.22 112.45 21.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.1 t -97.58 122.07 40.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.42 126.6 70.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.329 0.585 . . . . 25.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.71 143.75 42.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 173.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.55 -27.42 68.61 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.298 0.57 . . . . 25.0 110.25 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.72 11.5 1.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.1 mt 58.59 23.1 10.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.335 1.054 . . . . 25.0 112.02 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.4 t -92.71 25.76 2.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.558 -1.201 . . . . 25.0 108.317 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.154 -0.93 . . . . 25.0 111.547 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.4 154.85 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 t -133.75 147.17 51.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 174.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -154.19 176.09 12.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 p -132.56 153.45 50.98 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.0 mt -129.84 147.2 51.58 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -103.99 126.51 51.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.075 -1.824 . . . . 25.0 106.075 172.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.4 m -136.73 161.95 35.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -84.56 165.34 18.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.57 86.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -91.3 17.12 8.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.35 128.15 35.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.512 -0.742 . . . . 25.0 110.64 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -69.08 151.97 45.77 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.754 0.311 . . . . 25.0 111.345 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -61.75 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.102 172.485 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -64.75 -36.79 85.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 25.0 111.09 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -77.87 -35.5 50.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.782 0.801 . . . . 25.0 109.473 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.0 -44.5 96.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 25.0 112.019 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -27.97 68.83 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 119.925 -0.71 . . . . 25.0 110.908 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.98 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.158 0.435 . . . . 25.0 109.885 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.99 -38.96 92.7 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.232 0.539 . . . . 25.0 110.366 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.3 t -63.86 -42.86 97.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.207 0.527 . . . . 25.0 110.489 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.92 -39.85 93.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.566 . . . . 25.0 110.695 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.56 -48.4 81.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -75.63 -34.74 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 84.2 p -77.74 -25.56 49.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.054 -0.404 . . . . 25.0 111.446 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.71 13.75 78.18 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 121.001 -0.618 . . . . 25.0 114.116 175.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.41 148.28 63.47 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -63.39 135.31 49.26 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 116.397 -1.935 . . . . 25.0 113.947 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.31 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.729 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.94 -21.67 66.44 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.163 -0.471 . . . . 25.0 112.258 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.86 9.92 40.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 25.0 109.786 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.7 m -134.43 155.32 50.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.857 1.428 . . . . 25.0 114.857 -171.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -113.26 143.27 44.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -123.84 132.81 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.97 152.98 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.538 0.685 . . . . 25.0 111.666 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -141.44 137.01 31.89 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.196 -2.15 . . . . 25.0 105.196 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.68 43.31 24.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.367 0.417 . . . . 25.0 111.406 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 57.63 23.87 9.85 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -132.39 148.18 68.66 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.06 153.33 52.06 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 116.493 -1.871 . . . . 25.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.413 ' HB3' HD11 ' A' ' 127' ' ' LEU . 43.6 mt -103.59 116.1 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 175.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.4 p -130.15 -37.65 1.45 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 117.089 2.255 . . . . 25.0 117.089 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -83.54 109.34 17.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 -168.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -68.61 -17.1 64.05 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.869 -0.519 . . . . 25.0 109.807 173.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -75.07 5.39 5.34 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.649 0.78 . . . . 25.0 111.307 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -126.69 140.27 52.52 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.175 0.512 . . . . 25.0 109.686 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -80.76 165.02 22.31 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.905 -1.517 . . . . 25.0 106.905 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.58 -33.07 75.06 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.819 -0.551 . . . . 25.0 111.28 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.14 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.948 -0.47 . . . . 25.0 110.35 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.6 m -70.98 -16.5 62.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.626 -0.261 . . . . 25.0 111.203 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -97.5 -4.05 38.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.841 -0.429 . . . . 25.0 109.841 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.99 16.86 60.38 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-O 119.632 -0.538 . . . . 25.0 114.205 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.1 86.57 0.75 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.029 0.915 . . . . 25.0 111.326 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 157.14 37.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.402 -0.817 . . . . 25.0 111.286 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -59.47 130.04 44.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.624 0.726 . . . . 25.0 109.386 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.69 -10.78 70.52 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.097 -0.956 . . . . 25.0 113.733 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.04 161.86 29.61 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 118.144 0.972 . . . . 25.0 111.358 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.03 129.46 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -171.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.17 141.72 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 92.1 mt -116.97 131.27 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.1 tt -123.78 140.71 52.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -132.88 124.33 27.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.666 0.269 . . . . 25.0 110.935 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 122.953 1.359 . . . . 25.0 110.19 175.405 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 . . . . . 0 C--O 1.234 0.246 0 N-CA-C 101.514 -3.514 . . . . 25.0 101.514 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -136.53 159.85 40.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.2 tp -116.86 131.09 57.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -121.77 157.84 30.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.7 m -109.26 138.61 45.35 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.04 125.93 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -111.57 124.53 52.48 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.089 -1.819 . . . . 25.0 106.089 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.5 m -111.35 116.58 31.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.45 129.86 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.226 -0.443 . . . . 25.0 110.471 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.405 ' HD2' ' HB2' ' A' ' 113' ' ' SER . 93.4 mtt180 -114.34 149.97 35.25 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -61.05 -28.02 68.76 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.89 20.31 4.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.983 -0.553 . . . . 25.0 112.018 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.91 23.01 7.72 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.405 ' HB2' ' HD2' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -83.89 26.1 0.75 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.487 1.115 . . . . 25.0 111.305 176.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -72.38 152.84 41.78 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.628 -1.169 . . . . 25.0 112.353 -168.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.2 160.48 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 -172.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -138.81 150.75 46.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -157.61 174.23 15.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -123.5 151.45 42.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -133.59 145.76 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 25.0 110.749 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -102.32 131.99 48.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 m -146.08 166.08 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.89 166.22 15.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.986 -1.487 . . . . 25.0 106.986 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.83 95.92 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.883 -0.511 . . . . 25.0 110.38 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -91.21 16.83 9.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.623 0.725 . . . . 25.0 112.427 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.19 131.7 46.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -66.72 150.88 48.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.69 0.281 . . . . 25.0 111.504 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -62.75 -37.35 86.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 172.732 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.43 -34.11 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.264 0.554 . . . . 25.0 110.933 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.34 -40.45 51.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.35 -43.71 98.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -27.87 68.0 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.813 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.88 -37.24 64.78 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.44 -45.62 90.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.365 . . . . 25.0 110.892 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.0 p -72.19 -25.39 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.597 -0.841 . . . . 25.0 111.198 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.43 -42.38 96.05 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -44.91 91.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 25.0 111.779 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -68.58 -35.27 77.14 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.0 p -92.52 -17.97 23.77 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.75 32.97 79.1 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.913 -0.66 . . . . 25.0 114.495 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.0 157.78 42.47 Favored Pre-proline 0 N--CA 1.469 0.487 0 CA-C-N 117.247 0.523 . . . . 25.0 110.661 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.97 113.99 3.84 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 114.508 -3.195 . . . . 25.0 108.954 165.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.37 -22.98 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.287 -0.883 . . . . 25.0 110.805 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.28 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.609 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -97.58 15.11 24.32 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.904 0.383 . . . . 25.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.6 p -135.43 166.89 22.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.545 0.688 . . . . 25.0 112.315 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -133.48 151.98 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 105.874 -1.899 . . . . 25.0 105.874 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.521 HG23 ' HB2' ' A' ' 154' ' ' LEU . 9.4 tt -124.1 133.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 -177.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.0 t -124.62 137.64 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.642 -0.708 . . . . 25.0 111.364 -168.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -137.94 140.36 40.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.5 43.16 27.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.123 0.487 . . . . 25.0 110.833 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 61.72 5.76 1.4 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.872 1.804 . . . . 25.0 115.872 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -117.98 144.37 34.54 Favored Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 121.694 -0.629 . . . . 25.0 110.826 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.67 146.5 49.01 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 116.071 -2.153 . . . . 25.0 112.58 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' A' ' 147' ' ' ILE . 14.0 mt -92.72 83.66 4.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.917 -1.038 . . . . 25.0 109.02 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.2 p -104.43 -18.31 14.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.55 80.66 7.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.376 -0.972 . . . . 25.0 108.376 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -67.71 -12.55 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 -170.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.578 0.704 . . . . 25.0 109.861 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -75.58 148.61 38.71 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.274 0.559 . . . . 25.0 111.896 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 64.6 p -81.53 163.06 22.94 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 171.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.59 -30.04 70.72 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 121.15 0.5 . . . . 25.0 111.508 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.06 -30.21 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.432 -0.349 . . . . 25.0 111.117 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.1 t -69.86 -16.56 63.27 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.118 -0.364 . . . . 25.0 111.587 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -101.47 -6.84 23.45 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.37 27.8 46.75 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 119.36 -0.689 . . . . 25.0 113.027 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.38 86.42 0.42 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.108 0.954 . . . . 25.0 110.267 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -71.95 158.61 35.7 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.22 -0.9 . . . . 25.0 109.0 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -59.53 132.41 53.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.8 -13.67 65.9 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.452 -0.794 . . . . 25.0 113.801 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -64.99 149.38 49.92 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 118.202 1.001 . . . . 25.0 109.637 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.5 136.28 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.787 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 29.0 m -113.6 149.97 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 61.6 mt -117.13 105.92 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 tt -86.28 136.2 33.25 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.869 -1.9 . . . . 25.0 105.869 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -127.82 117.67 22.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.206 -1.219 0 CA-C-O 124.775 2.226 . . . . 25.0 110.41 178.193 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.2 p80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 48.6 mtm -98.94 160.05 14.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.17 124.75 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.91 154.06 36.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.7 m -106.28 135.67 47.35 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.0 127.57 75.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.623 -1.251 . . . . 25.0 107.623 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.86 110.33 20.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.0 t -97.52 119.11 35.49 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.7 t -105.88 123.85 60.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 120.926 0.393 . . . . 25.0 111.214 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -107.32 144.03 34.75 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -63.74 -19.3 64.85 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -91.91 22.93 3.93 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 123.55 0.74 . . . . 25.0 111.441 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt 55.59 23.43 6.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.395 1.078 . . . . 25.0 113.484 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.53 25.65 2.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.932 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.25 149.46 44.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.8 -1.091 . . . . 25.0 111.013 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.16 156.9 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -133.3 148.58 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.77 168.36 25.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.2 m -115.33 146.2 41.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.97 142.66 50.58 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -101.67 127.36 48.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.102 -1.444 . . . . 25.0 107.102 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -140.67 160.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.01 166.26 22.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.81 99.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 25.0 110.553 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -98.7 19.52 14.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.633 0.73 . . . . 25.0 111.51 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -60.74 133.1 55.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.6 . . . . 25.0 110.795 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.81 145.89 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -61.79 -37.0 82.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 173.533 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -57.55 -47.98 80.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.528 . . . . 25.0 110.604 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.0 -29.78 64.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.09 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.723 -0.61 . . . . 25.0 111.328 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -64.87 -41.73 95.42 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.14 93.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.364 -0.834 . . . . 25.0 110.812 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.61 -45.82 88.57 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.085 -0.384 . . . . 25.0 111.36 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.4 p -70.99 -25.46 62.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.447 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.77 -46.68 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.49 -45.4 83.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 25.0 112.282 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.63 -32.29 72.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.187 0.518 . . . . 25.0 111.829 -176.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.4 t -88.37 -25.56 22.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.99 32.7 58.4 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.981 -0.628 . . . . 25.0 114.207 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.3 pt -128.6 151.78 77.48 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 122.489 -0.418 . . . . 25.0 109.901 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -68.15 133.69 29.43 Favored 'Trans proline' 0 C--O 1.24 0.6 0 C-N-CA 116.827 -1.648 . . . . 25.0 113.48 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.74 67.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.96 -0.462 . . . . 25.0 111.082 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.26 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.951 0.405 . . . . 25.0 111.824 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.12 9.87 41.55 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.068 0.461 . . . . 25.0 110.214 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.5 m -128.26 148.31 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -170.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -128.18 146.94 50.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.381 -1.34 . . . . 25.0 107.381 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -121.34 133.36 68.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.1 t -135.54 135.48 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 123.79 0.836 . . . . 25.0 110.701 -169.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -138.39 139.01 38.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.603 -1.629 . . . . 25.0 106.603 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 41.83 28.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.124 0.488 . . . . 25.0 110.537 -175.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.61 12.66 2.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.378 1.622 . . . . 25.0 115.378 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -122.08 141.4 34.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.576 -0.703 . . . . 25.0 110.785 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.9 147.25 92.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 116.561 -1.826 . . . . 25.0 113.504 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 127' ' ' LEU . 57.6 mt -92.95 118.48 31.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 176.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.9 p -127.74 -25.15 3.15 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 117.427 2.38 . . . . 25.0 117.427 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -86.43 97.39 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.781 0.719 . . . . 25.0 110.231 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -63.88 -21.87 66.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -82.96 -20.01 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.23 0.538 . . . . 25.0 111.945 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -76.07 145.11 40.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.734 -0.386 . . . . 25.0 110.009 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.4 p -81.99 163.14 22.35 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.295 -1.002 . . . . 25.0 108.295 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.916 0.389 . . . . 25.0 111.323 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.21 71.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.258 -0.276 . . . . 25.0 110.695 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.0 m -69.47 -16.52 63.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.87 0.322 . . . . 25.0 111.87 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -99.97 -8.08 24.36 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.022 0.439 . . . . 25.0 109.92 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.39 19.46 56.87 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-O 119.074 -0.848 . . . . 25.0 113.694 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.94 83.4 1.23 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.332 1.066 . . . . 25.0 109.72 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.57 162.01 27.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.365 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -57.25 130.25 45.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.88 60.93 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.49 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -72.78 161.76 30.33 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 118.593 1.197 . . . . 25.0 111.288 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 31.0 t -123.11 131.01 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.403 0.62 . . . . 25.0 111.703 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.61 137.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.74 127.21 60.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.3 tt -114.69 133.97 55.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 105.478 -2.045 . . . . 25.0 105.478 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -126.98 121.1 30.74 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.95 -0.469 . . . . 25.0 109.843 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 123.847 1.784 . . . . 25.0 110.802 179.652 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.0 p80 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -133.36 163.8 28.52 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -110.44 120.92 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 25.0 111.075 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.85 144.04 43.68 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.59 137.22 34.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.08 128.58 73.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -121.07 107.29 12.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.0 132.82 44.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.806 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 134.7 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.283 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -113.5 154.83 26.42 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 171.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -62.9 -32.17 73.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.92 0.391 . . . . 25.0 109.984 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.24 18.35 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.606 1.162 . . . . 25.0 113.942 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.0 mt 59.46 26.67 15.66 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.68 25.69 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.418 0.628 . . . . 25.0 110.645 175.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.34 152.35 42.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.039 -0.982 . . . . 25.0 113.492 -171.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 p -151.84 152.78 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.562 -1.273 . . . . 25.0 107.562 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -135.21 141.88 45.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -155.96 -177.82 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.9 m -134.23 151.77 51.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.275 -0.265 . . . . 25.0 110.524 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.69 146.86 50.43 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.117 0.567 . . . . 25.0 110.275 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -105.94 121.82 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.48 164.51 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 122.831 0.452 . . . . 25.0 110.24 -173.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.24 157.96 32.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.18 70.7 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.531 -0.731 . . . . 25.0 109.539 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.75 4.6 46.88 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.714 -0.676 . . . . 25.0 112.466 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.23 131.23 48.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.01 150.52 47.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.33 -29.28 70.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.841 -0.344 . . . . 25.0 110.523 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.21 -39.7 93.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.544 . . . . 25.0 110.536 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.63 -36.3 57.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.769 0.795 . . . . 25.0 109.171 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -61.34 -45.59 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.95 -0.469 . . . . 25.0 111.752 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -66.47 -27.93 68.18 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.338 -0.545 . . . . 25.0 110.81 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.34 74.55 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.39 -37.37 85.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.99 -0.444 . . . . 25.0 109.947 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 73.5 m -63.98 -40.67 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.262 -0.273 . . . . 25.0 110.262 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.63 -40.15 93.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.96 -0.385 . . . . 25.0 109.96 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.96 -45.98 91.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.71 -35.64 67.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.075 0.464 . . . . 25.0 112.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.0 m -88.59 -25.5 22.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.746 1.387 . . . . 25.0 114.746 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.73 32.77 85.31 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.011 -0.614 . . . . 25.0 113.311 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.83 146.29 34.78 Favored Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 122.288 -0.537 . . . . 25.0 111.869 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.42 122.36 9.13 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 116.862 -1.625 . . . . 25.0 112.152 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.18 72.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 25.0 111.392 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.51 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -103.8 15.98 27.45 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.078 0.466 . . . . 25.0 110.658 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.8 p -133.66 163.27 29.82 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.881 1.437 . . . . 25.0 114.881 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -132.79 153.68 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -124.14 132.21 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.7 t -134.14 136.52 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.805 0.842 . . . . 25.0 110.71 -168.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -140.79 143.63 34.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.04 40.05 27.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.416 0.627 . . . . 25.0 110.732 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 58.24 17.66 4.8 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.002 1.482 . . . . 25.0 115.002 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -128.47 143.82 49.72 Favored Pre-proline 0 N--CA 1.468 0.459 0 O-C-N 121.755 -0.59 . . . . 25.0 110.699 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -71.61 145.67 47.42 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 116.332 -1.979 . . . . 25.0 112.319 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.4 mt -88.42 78.78 7.85 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 53.7 p -76.3 -29.74 57.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -172.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -94.69 101.62 13.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -84.88 -9.6 57.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -79.84 -16.78 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.593 0.711 . . . . 25.0 110.295 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 23.0 mtt85 -74.1 148.43 41.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.743 -0.662 . . . . 25.0 109.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -79.97 164.74 23.25 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.78 -38.89 86.84 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 121.267 0.556 . . . . 25.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.16 -30.24 66.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.017 -0.538 . . . . 25.0 112.251 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.7 t -70.98 -17.99 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -101.05 -6.33 24.54 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.646 -0.501 . . . . 25.0 109.646 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.88 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.6 83.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -88.66 172.13 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.268 -0.878 . . . . 25.0 112.499 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 128.22 32.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.942 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.5 -15.81 58.38 Favored Glycine 0 CA--C 1.516 0.152 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.316 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.97 155.98 38.27 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 118.472 1.136 . . . . 25.0 111.076 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 43.1 t -118.09 127.66 75.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.374 -0.83 . . . . 25.0 109.541 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.2 t -108.76 133.03 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.86 125.86 64.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.3 tt -113.44 138.23 50.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.75 122.98 38.99 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 123.294 1.521 . . . . 25.0 110.653 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 105.514 -2.032 . . . . 25.0 105.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -126.32 172.88 9.75 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.1 tp -125.51 130.46 51.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.194 -0.669 . . . . 25.0 109.194 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -119.43 158.74 25.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -110.88 142.56 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.05 132.32 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -119.48 111.37 18.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.185 -1.042 . . . . 25.0 108.185 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.5 t -97.4 122.68 40.73 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.22 -1.03 . . . . 25.0 108.22 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.47 124.36 67.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-O 121.29 0.567 . . . . 25.0 111.62 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -105.42 147.1 28.62 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 105.915 -1.883 . . . . 25.0 105.915 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 -70.76 -19.55 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.774 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -92.22 27.46 2.19 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.152 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.3 mt 55.22 34.76 23.41 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 122.305 1.05 . . . . 25.0 112.967 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 25.76 10.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.504 -1.225 . . . . 25.0 111.429 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 -72.23 154.25 41.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.945 0.878 . . . . 25.0 112.608 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.26 152.44 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.478 -1.675 . . . . 25.0 106.478 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.0 t -136.65 146.63 46.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -156.43 173.66 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.0 m -121.13 150.96 40.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -129.1 142.21 50.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.269 -0.423 . . . . 25.0 109.872 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -100.65 127.04 47.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.19 161.11 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -77.37 161.31 28.13 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.53 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.475 0.655 . . . . 25.0 109.998 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.0 15.68 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.616 0.722 . . . . 25.0 111.631 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.88 132.03 46.08 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 147.13 53.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.695 0.283 . . . . 25.0 111.275 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 154' ' ' LEU . 1.4 mm? -63.46 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.649 0.261 . . . . 25.0 110.789 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.892 0.377 . . . . 25.0 110.67 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -77.9 -32.44 51.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.599 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.34 -47.93 83.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.808 -0.558 . . . . 25.0 110.941 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -65.72 -27.86 68.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.396 -0.522 . . . . 25.0 111.579 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.54 74.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.092 0.472 . . . . 25.0 109.977 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.12 -38.6 88.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.65 -37.96 89.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.396 -0.366 . . . . 25.0 111.075 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.4 -50.36 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.674 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.11 -33.74 70.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.1 t -89.17 -18.22 27.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.68 32.97 82.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 115.477 0.951 . . . . 25.0 115.477 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.6 pt -134.43 147.52 63.82 Favored Pre-proline 0 N--CA 1.469 0.504 0 CA-C-N 117.177 0.488 . . . . 25.0 110.769 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.61 119.53 6.65 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.217 -1.389 . . . . 25.0 112.524 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.47 -26.5 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.92 0.39 . . . . 25.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.37 67.86 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.055 -0.52 . . . . 25.0 112.246 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -98.13 14.83 26.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.91 0.386 . . . . 25.0 110.978 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.7 p -134.23 165.8 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -131.13 148.91 52.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 tt -121.69 136.49 58.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.571 0.701 . . . . 25.0 109.917 -176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.8 p -139.72 143.96 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -141.17 134.79 30.07 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 45.29 24.6 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 123.472 0.483 . . . . 25.0 110.093 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 60.21 6.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.747 1.758 . . . . 25.0 115.747 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -116.05 133.31 22.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.99 149.25 46.54 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.875 -1.617 . . . . 25.0 113.855 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 127' ' ' LEU . 75.8 mt -100.59 53.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -25.09 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.47 89.18 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.191 0.996 . . . . 25.0 108.432 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -70.9 -13.33 61.98 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -81.31 -14.71 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 25.0 111.415 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -76.89 152.92 35.19 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 120.834 0.349 . . . . 25.0 110.351 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 12.0 m -80.7 162.81 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.92 -38.3 87.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.45 0.643 . . . . 25.0 109.797 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.08 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.934 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m -69.37 -17.24 63.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -101.75 -3.97 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 25.0 110.061 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.35 21.58 72.58 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.516 -0.634 . . . . 25.0 111.516 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.59 82.57 2.02 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 121.419 0.628 . . . . 25.0 109.504 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.16 171.05 14.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.948 -1.024 . . . . 25.0 111.371 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.69 129.59 37.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.141 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.56 -12.23 66.34 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 114.816 -1.084 . . . . 25.0 113.756 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -68.96 151.15 46.9 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 118.399 1.1 . . . . 25.0 110.499 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.68 129.31 72.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.421 -0.809 . . . . 25.0 109.531 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.07 154.97 7.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.3 mt -122.32 127.41 75.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -117.0 136.12 53.18 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -120.71 120.36 35.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.196 -0.298 . . . . 25.0 110.196 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--O 1.208 -1.122 0 CA-C-O 124.419 2.057 . . . . 25.0 111.236 179.281 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 p80 . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -142.93 156.89 44.97 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -110.46 125.85 53.72 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.34 158.39 24.49 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 m -108.77 134.54 51.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.394 -0.821 . . . . 25.0 109.249 173.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.3 t -122.58 122.45 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.946 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.06 119.01 38.22 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.6 m -105.7 127.14 52.89 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 120.052 -1.655 . . . . 25.0 107.261 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.8 t -117.19 138.33 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.927 0.767 . . . . 25.0 112.028 -173.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -123.0 152.4 40.93 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.82 -31.21 71.43 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.29 25.94 1.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.622 . . . . 25.0 109.348 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 114' ' ' GLU . 50.9 mt 57.86 24.87 11.36 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.54 23.55 0.4 Allowed 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.052 0.941 . . . . 25.0 108.586 176.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 112' ' ' LEU . 10.8 pt-20 -71.56 155.12 40.91 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 126.132 1.773 . . . . 25.0 112.92 -171.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.91 140.73 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 106.061 -1.829 . . . . 25.0 106.061 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -124.28 147.77 47.87 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 175.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -155.26 175.19 14.17 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 m -120.99 147.55 45.34 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.3 mt -124.08 148.43 47.11 Favored 'General case' 0 CA--C 1.472 -2.024 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -98.48 130.88 45.08 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 106.256 -1.757 . . . . 25.0 106.256 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.98 161.52 35.65 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-O 121.742 0.782 . . . . 25.0 112.412 174.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -83.36 161.41 21.39 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.41 -32.79 74.56 Favored 'General case' 0 C--O 1.199 -1.56 0 O-C-N 121.543 -0.723 . . . . 25.0 111.243 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.36 17.82 10.7 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.645 0.778 . . . . 25.0 112.659 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -75.45 134.5 40.84 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 120.147 -0.621 . . . . 25.0 110.175 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -75.91 156.32 34.37 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.446 1.593 . . . . 25.0 111.695 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.46 -28.99 67.53 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -64.34 -47.67 78.49 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.687 1.867 . . . . 25.0 111.564 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -70.45 -37.34 74.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.584 -1.189 . . . . 25.0 107.812 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.29 -49.61 76.94 Favored 'General case' 0 C--O 1.203 -1.369 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -62.75 -28.89 70.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.687 -1.149 . . . . 25.0 111.873 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.14 74.66 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -66.7 -40.39 88.45 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 114.935 -1.03 . . . . 25.0 112.841 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.0 p -74.29 -27.31 60.67 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 120.304 -1.497 . . . . 25.0 111.424 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.48 -43.16 86.16 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.18 -46.6 88.22 Favored 'General case' 0 CA--C 1.482 -1.672 0 C-N-CA 123.761 0.824 . . . . 25.0 111.317 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.98 -39.76 87.26 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.27 0.557 . . . . 25.0 112.428 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.5 t -88.42 -18.71 27.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.14 32.32 58.54 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 116.426 1.33 . . . . 25.0 116.426 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.0 pt -104.66 153.97 38.84 Favored Pre-proline 0 N--CA 1.492 1.64 0 N-CA-C 116.717 2.118 . . . . 25.0 116.717 -170.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.93 122.5 9.62 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 115.928 -2.248 . . . . 25.0 110.093 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.19 -26.59 68.43 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.771 -0.58 . . . . 25.0 112.111 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.44 52.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -101.2 18.49 19.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.762 1.289 . . . . 25.0 111.275 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 m -137.95 160.41 39.39 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-O 123.598 1.666 . . . . 25.0 112.901 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -132.8 153.34 51.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 126.346 1.858 . . . . 25.0 106.36 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -128.93 133.63 65.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 O-C-N 121.566 -0.709 . . . . 25.0 110.039 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.6 t -135.96 140.09 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.166 0.986 . . . . 25.0 110.556 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.49 141.96 41.51 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.62 37.91 21.15 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.575 1.179 . . . . 25.0 110.991 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.14 5.11 2.85 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -112.37 142.77 27.58 Favored Pre-proline 0 C--O 1.255 1.345 0 O-C-N 121.068 -1.02 . . . . 25.0 109.42 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.47 144.7 56.45 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.452 0.768 . . . . 25.0 112.53 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.09 94.97 7.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.663 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.7 p -110.96 -30.79 7.37 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 116.879 2.178 . . . . 25.0 116.879 -172.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.03 88.16 5.39 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -66.8 -16.47 64.29 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 116.102 1.89 . . . . 25.0 116.102 -172.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -83.47 -18.42 38.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.256 1.503 . . . . 25.0 114.892 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -74.01 148.18 42.26 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.029 -1.441 . . . . 25.0 111.016 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 51.1 m -77.75 151.04 34.28 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 113.799 -1.546 . . . . 25.0 109.083 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.97 -34.91 79.19 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.795 0.807 . . . . 25.0 111.617 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.02 -27.06 65.09 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.736 -1.12 . . . . 25.0 110.204 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -16.42 60.31 Favored 'General case' 0 CA--C 1.553 1.095 0 O-C-N 121.455 -0.778 . . . . 25.0 111.547 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.47 -2.01 57.91 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.712 -0.618 . . . . 25.0 109.904 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 71.26 22.39 78.54 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 110.141 -1.184 . . . . 25.0 110.141 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.05 92.13 0.93 Allowed 'General case' 0 C--O 1.248 1.023 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -99.03 168.62 9.97 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.112 1.507 . . . . 25.0 111.183 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.82 119.57 4.76 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.477 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 105.83 -5.81 40.24 Favored Glycine 0 C--O 1.207 -1.592 0 CA-C-N 115.956 -0.566 . . . . 25.0 113.676 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -74.41 150.44 39.99 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 125.405 2.526 . . . . 25.0 111.256 173.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.3 128.05 72.65 Favored 'Isoleucine or valine' 0 C--O 1.256 1.435 0 CA-C-N 113.0 -1.909 . . . . 25.0 108.643 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.7 t -111.21 130.36 64.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 106.065 -1.828 . . . . 25.0 106.065 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.23 129.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 122.102 0.954 . . . . 25.0 108.61 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.23 136.84 52.78 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 105.558 -2.016 . . . . 25.0 105.558 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -119.42 108.97 15.21 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.827 0.822 . . . . 25.0 109.203 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 122.233 1.016 . . . . 25.0 109.375 177.659 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 . . . . . 0 CA--C 1.511 -0.525 0 N-CA-C 106.352 -1.722 . . . . 25.0 106.352 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.9 167.31 30.14 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.271 0.357 . . . . 25.0 110.092 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.0 tp -109.01 133.12 53.41 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.225 0.61 . . . . 25.0 109.637 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.8 mt -122.93 146.08 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.2 m -104.88 135.49 46.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.226 -1.028 . . . . 25.0 108.226 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.0 129.17 73.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.23 122.26 46.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.42 116.61 32.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.16 116.66 45.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.662 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -92.73 146.3 23.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -61.68 -29.6 70.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.497 0.665 . . . . 25.0 110.345 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.31 13.75 4.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.787 -1.097 . . . . 25.0 113.167 -176.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.0 mt 58.66 27.89 16.45 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 122.293 1.044 . . . . 25.0 112.141 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 m -90.33 25.71 2.15 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.575 -1.193 . . . . 25.0 109.728 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.39 155.54 40.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.067 -0.969 . . . . 25.0 112.919 -166.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.43 157.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -140.3 150.17 43.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 174.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -157.85 174.42 15.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 -176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.49 149.0 52.36 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.93 147.15 49.57 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.851 -0.425 . . . . 25.0 109.851 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -104.75 124.45 49.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.343 -1.355 . . . . 25.0 107.343 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.9 m -143.0 165.39 15.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.947 -0.569 . . . . 25.0 109.778 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -79.26 152.69 30.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.827 -1.546 . . . . 25.0 106.827 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.0 74.17 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.709 0.766 . . . . 25.0 109.836 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -93.08 9.93 33.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 25.0 112.385 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.39 137.92 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.59 144.14 55.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.36 -0.213 . . . . 25.0 111.279 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.5 -32.49 73.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -54.95 -48.27 73.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 25.0 111.56 175.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -77.9 -31.01 50.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.803 0.335 . . . . 25.0 111.035 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.83 -0.544 . . . . 25.0 111.59 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -66.6 -27.98 68.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.098 -0.641 . . . . 25.0 110.135 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.06 -38.8 69.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 110.182 -0.303 . . . . 25.0 110.182 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.58 -41.0 96.55 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.102 -0.499 . . . . 25.0 110.758 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.87 -44.62 96.44 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.835 0.454 . . . . 25.0 109.874 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.65 -47.28 76.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -71.29 -35.82 71.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 25.0 111.63 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.2 t -82.12 -29.79 31.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.348 . . . . 25.0 111.889 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.11 83.84 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.728 -0.749 . . . . 25.0 113.582 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 29.4 pt -124.05 140.24 34.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -63.37 134.01 43.02 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 116.942 -1.572 . . . . 25.0 115.324 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.91 68.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.44 -24.69 66.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.868 -0.605 . . . . 25.0 112.436 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.3 10.25 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.901 0.382 . . . . 25.0 111.161 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.0 p -142.56 173.49 11.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.152 0.501 . . . . 25.0 111.797 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -127.47 135.9 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -102.07 132.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.1 t -135.96 136.18 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.118 0.567 . . . . 25.0 111.241 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -143.86 143.44 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.58 42.09 29.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.202 0.601 . . . . 25.0 111.212 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 59.31 16.95 5.4 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.682 1.364 . . . . 25.0 114.682 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -126.49 136.96 29.42 Favored Pre-proline 0 N--CA 1.467 0.416 0 O-C-N 121.835 -0.541 . . . . 25.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.22 146.27 45.53 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 115.532 -2.512 . . . . 25.0 111.473 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 72.8 mt -93.1 81.91 4.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.3 p -97.87 -19.76 17.92 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.75 1.018 . . . . 25.0 113.75 -173.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -85.57 97.32 10.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -73.83 -18.41 60.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -81.51 -13.46 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 25.0 111.456 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -75.47 146.59 40.52 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 120.897 0.379 . . . . 25.0 110.71 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -81.71 165.36 21.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.19 -36.37 83.85 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.001 -0.437 . . . . 25.0 110.718 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.12 69.66 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.129 -0.357 . . . . 25.0 111.403 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.1 m -71.27 -16.55 62.48 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -97.46 -10.46 25.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.736 0.303 . . . . 25.0 110.316 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.34 20.41 60.49 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 111.247 -0.741 . . . . 25.0 111.247 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.34 83.81 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.29 167.44 18.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.923 -1.035 . . . . 25.0 111.994 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.1 128.11 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.624 -0.717 . . . . 25.0 110.664 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.69 -10.73 68.63 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.577 -0.738 . . . . 25.0 114.364 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.26 149.53 50.2 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 118.312 1.056 . . . . 25.0 111.206 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.3 t -112.68 126.86 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.171 -0.922 . . . . 25.0 110.338 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.52 139.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.5 mt -118.08 118.42 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.37 0.605 . . . . 25.0 109.702 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 4.9 tt -101.93 138.33 39.04 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -126.95 122.37 34.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.065 -0.397 . . . . 25.0 110.981 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 124.267 1.984 . . . . 25.0 110.593 176.47 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -123.24 163.84 19.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.4 tp -124.46 127.21 47.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.7 mt -120.77 143.44 48.81 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -97.72 143.54 28.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.672 -1.233 . . . . 25.0 107.672 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.12 125.64 69.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -112.15 108.17 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -100.29 117.52 34.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.246 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.0 t -106.02 131.33 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.907 0.384 . . . . 25.0 110.22 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -120.02 146.53 45.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 106.06 -1.829 . . . . 25.0 106.06 174.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -62.84 -23.32 67.23 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -92.25 30.22 1.51 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.056 0.455 . . . . 25.0 112.018 -176.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt 54.28 25.2 5.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.214 1.006 . . . . 25.0 112.286 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 m -92.02 25.49 2.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.094 -0.957 . . . . 25.0 109.724 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.32 154.69 40.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 25.0 111.883 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.8 p -152.6 155.62 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.5 t -137.0 147.37 46.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -155.53 175.67 13.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.758 -1.571 . . . . 25.0 106.758 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.2 m -129.42 148.81 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.45 148.6 49.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.143 -0.48 . . . . 25.0 109.915 -177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -99.29 129.4 45.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.67 166.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.367 -173.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.77 166.72 14.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 174.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.95 94.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.136 -0.353 . . . . 25.0 111.204 176.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -101.65 19.51 17.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.838 0.828 . . . . 25.0 111.657 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -59.97 128.55 37.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.632 -0.713 . . . . 25.0 109.648 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.43 142.37 57.6 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.563 -0.162 . . . . 25.0 110.563 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.07 -29.64 70.54 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.198 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -59.39 -41.67 89.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.078 0.466 . . . . 25.0 110.303 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -75.8 -40.18 55.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.264 0.554 . . . . 25.0 109.854 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.9 -47.07 88.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -67.14 -27.9 67.69 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.324 -0.55 . . . . 25.0 111.145 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -39.89 70.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.92 -39.45 94.6 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.1 m -62.82 -42.8 99.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.881 -0.327 . . . . 25.0 110.392 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.74 -41.69 98.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.735 0.302 . . . . 25.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.87 -46.1 90.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 25.0 111.745 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.63 -33.4 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.387 0.613 . . . . 25.0 111.123 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.5 m -81.86 -26.88 33.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.885 1.069 . . . . 25.0 113.885 -177.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.98 31.98 81.18 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.419 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.08 148.47 42.4 Favored Pre-proline 0 C--O 1.219 -0.535 0 O-C-N 122.401 -0.47 . . . . 25.0 110.463 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.31 125.99 11.86 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 116.455 -1.897 . . . . 25.0 112.555 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.01 -24.57 67.12 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.862 -0.524 . . . . 25.0 111.565 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.7 -25.31 66.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.727 0.299 . . . . 25.0 111.678 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -106.16 13.77 28.53 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 122.616 0.366 . . . . 25.0 110.917 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -137.74 153.75 49.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.798 1.777 . . . . 25.0 115.798 -170.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -131.87 154.39 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -128.03 137.98 55.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.63 146.28 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.798 -0.637 . . . . 25.0 109.602 -171.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.31 42.13 25.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.061 0.458 . . . . 25.0 110.836 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 60.82 10.65 2.81 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.929 1.455 . . . . 25.0 114.929 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -113.46 134.19 22.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.01 150.66 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.402 -2.599 . . . . 25.0 112.053 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.14 54.28 2.75 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -22.2 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.821 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.25 76.76 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.296 -1.372 . . . . 25.0 107.296 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -70.1 -9.42 55.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 -175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -98.33 32.29 2.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.006 0.907 . . . . 25.0 110.068 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -129.38 152.83 48.51 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.109 -1.812 . . . . 25.0 106.109 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.2 p -84.97 167.58 15.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.113 0.482 . . . . 25.0 110.083 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.16 -34.65 75.38 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.465 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.62 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.299 -0.409 . . . . 25.0 111.217 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 31.8 t -71.09 -17.27 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -99.75 -6.77 26.48 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.71 25.49 69.68 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 110.155 -1.178 . . . . 25.0 110.155 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.51 81.19 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.758 0.79 . . . . 25.0 109.361 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -76.5 160.39 29.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.408 -1.269 . . . . 25.0 112.251 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.75 121.98 9.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.032 -0.985 . . . . 25.0 108.91 171.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.24 -20.59 28.03 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.811 -0.631 . . . . 25.0 113.952 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.07 160.69 32.43 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 117.872 0.836 . . . . 25.0 111.645 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -128.1 138.6 54.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.173 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.5 m -112.14 159.2 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -120.59 129.24 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.5 tt -115.92 134.43 54.99 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 105.996 -1.853 . . . . 25.0 105.996 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.01 117.38 22.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.832 0.348 . . . . 25.0 110.719 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 123.966 1.841 . . . . 25.0 111.266 179.186 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 100.483 -3.895 . . . . 25.0 100.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -121.23 140.36 52.15 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.174 -1.788 . . . . 25.0 106.174 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.9 122.08 46.08 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 mt -124.72 150.42 46.21 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -101.73 142.76 32.57 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.07 121.24 60.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -100.61 112.85 25.3 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.7 t -98.79 116.58 31.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.81 0.338 . . . . 25.0 110.334 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -93.91 112.53 26.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-O 121.36 0.6 . . . . 25.0 109.925 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -93.72 139.7 30.52 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.17 -28.47 69.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.167 0.508 . . . . 25.0 112.245 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.84 18.32 2.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.638 -0.71 . . . . 25.0 112.501 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.0 mt 58.48 27.0 14.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.513 1.125 . . . . 25.0 111.597 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.1 m -91.82 25.9 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.431 -1.259 . . . . 25.0 109.055 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.18 149.28 44.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.563 -169.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.87 161.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -166.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.3 t -128.97 145.79 51.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -152.67 171.85 17.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.402 -1.703 . . . . 25.0 106.402 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -129.21 150.38 50.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.324 0.511 . . . . 25.0 110.941 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.4 mt -133.73 149.8 51.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 25.0 111.229 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -102.36 129.05 48.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.49 164.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -84.15 166.67 17.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.21 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.014 -0.429 . . . . 25.0 110.918 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -96.63 13.24 28.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.479 0.657 . . . . 25.0 111.116 -175.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.52 132.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 25.0 109.395 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.0 152.08 37.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.481 0.181 . . . . 25.0 111.28 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.3 -27.82 68.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 170.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.52 -41.75 86.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.387 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -81.16 -34.01 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.439 177.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.64 -42.07 99.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -61.83 -33.89 74.97 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 120.598 -0.441 . . . . 25.0 110.957 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.85 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.353 0.597 . . . . 25.0 109.509 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.1 -41.31 99.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.682 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 22.2 p -77.17 -25.19 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.825 -0.547 . . . . 25.0 111.869 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.53 -39.61 91.97 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.12 -45.41 92.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.319 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.09 -42.59 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.155 0.502 . . . . 25.0 111.864 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.6 t -85.27 -15.93 41.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.58 25.73 71.6 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 121.166 -0.54 . . . . 25.0 114.228 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 4.0 pt -137.22 141.92 36.0 Favored Pre-proline 0 N--CA 1.469 0.496 0 N-CA-C 109.068 -0.715 . . . . 25.0 109.068 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.98 140.26 65.28 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 116.29 -2.007 . . . . 25.0 114.203 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -25.98 68.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.844 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.08 62.91 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.969 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.15 17.26 17.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.311 0.577 . . . . 25.0 110.383 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -146.16 177.38 9.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -134.39 158.0 44.96 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -125.69 138.25 55.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.15 140.03 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 -177.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -141.78 134.43 28.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.424 -1.324 . . . . 25.0 107.424 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 40.65 27.25 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.004 0.522 . . . . 25.0 109.973 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 59.61 7.0 0.92 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.43 1.641 . . . . 25.0 115.43 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -105.57 132.88 20.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 121.679 -0.638 . . . . 25.0 109.874 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.67 149.95 61.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 115.95 -2.233 . . . . 25.0 110.722 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.55 114.48 28.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.3 p -114.98 -33.82 5.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -83.49 72.66 10.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.932 0.873 . . . . 25.0 109.238 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -66.7 -13.44 61.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.128 -0.942 . . . . 25.0 113.53 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -72.19 -15.82 61.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.564 0.697 . . . . 25.0 110.728 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.21 148.72 24.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.419 -0.801 . . . . 25.0 110.201 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.5 p -75.6 160.98 29.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.725 . . . . 25.0 109.423 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.95 -29.89 70.37 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.11 0.481 . . . . 25.0 111.186 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.38 70.32 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.093 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.3 t -69.8 -16.48 63.29 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -101.66 -4.86 25.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.98 66.49 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.964 -0.855 . . . . 25.0 110.964 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.41 79.2 2.46 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.682 0.754 . . . . 25.0 110.293 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.79 157.7 36.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.849 -1.069 . . . . 25.0 112.341 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.29 130.33 44.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.975 -1.011 . . . . 25.0 108.759 171.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.88 -17.39 49.17 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.349 -0.842 . . . . 25.0 113.27 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -79.75 169.6 17.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 117.91 0.855 . . . . 25.0 112.012 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.6 p -133.93 142.21 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 120.958 0.408 . . . . 25.0 111.595 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.84 160.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 107.465 -1.309 . . . . 25.0 107.465 175.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 86.9 mt -122.08 125.29 72.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -106.79 132.44 52.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 106.257 -1.756 . . . . 25.0 106.257 176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -118.22 113.01 20.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.177 0.513 . . . . 25.0 109.996 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 123.782 1.753 . . . . 25.0 111.894 179.054 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.334 0 N-CA-C 105.567 -2.012 . . . . 25.0 105.567 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -120.76 166.96 13.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 123.125 0.57 . . . . 25.0 111.443 -172.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.3 tp -117.86 131.79 56.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.0 mt -123.66 156.98 34.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.0 m -111.15 138.78 47.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.67 127.62 72.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -110.11 114.14 27.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.91 121.37 41.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.82 131.74 54.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.104 0.478 . . . . 25.0 110.861 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -123.12 143.7 49.82 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -65.48 -23.41 66.9 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.957 0.355 . . . . 25.0 111.957 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -88.54 25.66 1.65 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.161 0.505 . . . . 25.0 110.988 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt 52.42 29.79 7.4 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.444 1.098 . . . . 25.0 113.431 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.12 21.31 5.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.405 -0.816 . . . . 25.0 110.158 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -72.47 148.0 45.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.321 -170.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -155.05 160.48 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 -171.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -133.45 147.77 51.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -152.35 171.1 18.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.5 p -123.55 145.63 48.73 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.5 mt -121.84 144.64 48.71 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -113.62 118.67 35.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -144.52 163.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -79.56 166.68 21.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.32 94.14 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.65 0.262 . . . . 25.0 110.627 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -90.79 11.97 20.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.515 0.674 . . . . 25.0 112.724 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.84 130.71 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.27 148.98 46.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.95 0.405 . . . . 25.0 111.483 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -60.91 -35.62 77.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 25.0 109.967 175.803 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -35.74 76.15 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.597 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.84 -38.02 23.6 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.506 0.669 . . . . 25.0 109.991 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.54 -46.1 91.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.994 -0.441 . . . . 25.0 112.003 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -27.92 68.42 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.298 -0.561 . . . . 25.0 110.481 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.88 71.43 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.24 -41.0 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 25.0 110.368 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 12.0 p -73.17 -25.36 60.77 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.183 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.84 -40.59 91.89 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.882 -0.785 . . . . 25.0 108.882 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.92 -45.91 90.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 25.0 111.507 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -35.66 76.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.162 0.506 . . . . 25.0 111.531 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 45.0 m -79.94 -23.86 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.67 22.63 73.61 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.765 0.666 . . . . 25.0 114.765 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 33.9 pt -135.4 150.4 72.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 117.088 0.444 . . . . 25.0 110.582 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.0 127.02 16.11 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.499 -1.868 . . . . 25.0 113.358 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.32 -24.67 66.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.353 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.34 70.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -105.64 16.61 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.242 1.02 . . . . 25.0 109.294 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -126.61 178.03 6.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.992 -1.004 . . . . 25.0 109.076 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -134.32 147.31 50.55 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.815 -1.179 . . . . 25.0 107.815 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.24 134.12 67.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.0 -1.481 . . . . 25.0 107.0 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 63.3 t -136.15 137.75 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 123.381 0.673 . . . . 25.0 110.569 -170.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -141.11 141.03 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.91 44.45 25.31 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.834 0.454 . . . . 25.0 111.396 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.41 16.24 4.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -123.84 141.27 36.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.2 145.87 50.03 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 115.099 -2.8 . . . . 25.0 111.129 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 127' ' ' LEU . 21.6 mt -92.02 91.19 7.72 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -110.47 -34.52 6.3 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.233 1.938 . . . . 25.0 116.233 -172.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -80.82 89.97 5.85 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 9.7 p30 -68.89 -12.0 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 -171.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -76.95 -8.08 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.786 0.679 . . . . 25.0 112.309 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.35 150.66 22.46 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 110.008 -0.368 . . . . 25.0 110.008 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.0 p -82.31 164.48 21.09 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 169.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.71 -34.31 77.91 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 122.012 -0.43 . . . . 25.0 111.58 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.9 -30.16 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 25.0 111.046 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.2 m -70.2 -16.46 63.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -100.25 -10.41 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 109.937 -0.394 . . . . 25.0 109.937 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 89.45 20.15 46.12 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-O 119.647 -0.529 . . . . 25.0 113.926 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.5 87.75 0.32 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 117.889 0.845 . . . . 25.0 110.552 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.72 162.02 25.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.138 0.494 . . . . 25.0 110.569 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -57.98 131.06 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.543 0.687 . . . . 25.0 109.69 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.67 -11.37 66.53 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 115.192 -0.913 . . . . 25.0 114.406 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.96 153.69 39.79 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 118.608 1.204 . . . . 25.0 111.916 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.9 t -115.44 129.29 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 25.0 111.003 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.73 142.53 21.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.7 mt -116.65 123.8 72.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.416 0.627 . . . . 25.0 109.372 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.85 135.97 44.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.609 -1.997 . . . . 25.0 105.609 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 39.0 mtp-105 -135.77 106.52 6.57 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.837 -0.539 . . . . 25.0 112.046 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 124.977 2.322 . . . . 25.0 111.181 177.612 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 . . . . . 0 C--O 1.236 0.392 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -145.94 163.89 33.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.756 -1.202 . . . . 25.0 107.756 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.4 tp -112.45 133.25 54.63 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 122.317 0.247 . . . . 25.0 110.58 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -125.03 155.84 39.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -108.75 135.32 50.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.77 127.79 72.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -113.59 112.38 23.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.027 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -96.7 131.23 43.59 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.4 t -124.66 131.54 72.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 120.807 0.337 . . . . 25.0 111.194 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.72 147.53 45.79 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 173.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -65.17 -16.98 64.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.134 0.492 . . . . 25.0 111.526 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.78 15.77 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.811 -1.086 . . . . 25.0 111.661 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt 57.88 24.83 11.34 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.116 1.154 . . . . 25.0 114.116 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.95 25.84 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.801 0.81 . . . . 25.0 109.2 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -72.2 145.82 47.76 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.845 -1.071 . . . . 25.0 109.905 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.4 p -152.78 144.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 -174.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.5 t -123.48 141.87 51.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -153.26 173.93 14.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.097 -1.816 . . . . 25.0 106.097 -175.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.7 p -123.71 155.27 38.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -131.0 140.45 50.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.064 0.459 . . . . 25.0 109.983 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -101.32 113.63 26.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.59 165.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 122.556 0.342 . . . . 25.0 111.342 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -79.07 160.28 27.16 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.77 78.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.64 16.27 10.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.724 0.773 . . . . 25.0 112.168 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -67.85 128.05 35.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 25.0 109.861 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.02 143.22 58.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.804 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -29.38 70.48 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.08 0.467 . . . . 25.0 109.942 176.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -59.48 -43.19 93.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.73 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.58 -32.62 53.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.797 -0.564 . . . . 25.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.45 -43.26 99.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -27.66 67.55 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.688 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.35 67.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 117.999 0.363 . . . . 25.0 110.074 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.11 -38.18 87.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.36 -42.82 99.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.258 -0.428 . . . . 25.0 110.341 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.36 -40.96 92.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 25.0 110.613 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.46 -46.13 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 25.0 111.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -71.65 -40.02 69.96 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.254 0.55 . . . . 25.0 112.466 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.2 p -82.58 -24.11 34.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.61 21.26 76.23 Favored Glycine 0 CA--C 1.515 0.082 0 C-N-CA 121.107 -0.568 . . . . 25.0 114.327 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.76 146.47 50.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -62.85 119.13 6.08 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 117.057 -1.495 . . . . 25.0 113.752 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.46 -24.32 67.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 25.0 109.989 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.18 -24.57 67.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.945 -0.57 . . . . 25.0 112.537 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.86 14.84 27.49 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 120.772 0.32 . . . . 25.0 111.409 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.0 p -133.88 165.29 25.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -173.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -125.17 149.99 47.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 107.0 -1.482 . . . . 25.0 107.0 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -121.62 136.15 59.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.601 -0.889 . . . . 25.0 108.601 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.97 136.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 124.028 0.931 . . . . 25.0 110.665 -168.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -141.2 143.56 34.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.361 -1.718 . . . . 25.0 106.361 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.61 45.24 27.02 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.458 0.647 . . . . 25.0 111.211 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 60.37 7.36 1.28 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.809 1.781 . . . . 25.0 115.809 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -124.38 145.89 50.29 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.479 -0.763 . . . . 25.0 111.924 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.67 148.85 53.87 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 115.182 -2.746 . . . . 25.0 112.072 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.86 122.59 33.7 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 105.211 -2.144 . . . . 25.0 105.211 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 43.1 p -113.06 -43.51 3.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -82.28 101.33 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -76.04 -10.77 59.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.627 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -90.4 32.27 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.099 0.874 . . . . 25.0 111.95 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -134.13 142.2 47.39 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -77.46 163.38 26.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.055 0.455 . . . . 25.0 110.702 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.18 -39.75 83.52 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 121.443 0.64 . . . . 25.0 111.197 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.98 68.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.821 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m -72.7 -18.51 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.867 0.321 . . . . 25.0 111.867 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.53 -6.84 26.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.26 20.5 56.97 Favored Glycine 0 C--O 1.226 -0.393 0 C-N-CA 121.177 -0.535 . . . . 25.0 114.093 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 90.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.809 0.804 . . . . 25.0 110.499 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -80.69 162.05 24.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.011 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.92 129.14 36.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.033 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.52 -10.1 66.87 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-O 119.302 -0.721 . . . . 25.0 114.415 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.13 153.8 42.79 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 118.418 1.109 . . . . 25.0 110.989 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.03 130.67 67.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.871 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.19 137.75 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.92 131.2 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.9 tt -121.08 137.75 54.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 25.0 108.655 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.04 123.91 41.94 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 122.148 -0.345 . . . . 25.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 124.395 2.045 . . . . 25.0 110.688 178.09 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.3 p80 . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -111.86 -179.66 3.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 122.816 0.446 . . . . 25.0 110.144 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.0 tp -133.64 133.15 41.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.1 153.75 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -102.29 140.65 36.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.62 131.63 72.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -120.77 109.29 14.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -93.98 134.51 36.3 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.2 t -130.04 130.97 66.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.137 0.494 . . . . 25.0 112.065 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -132.95 144.44 50.13 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 105.199 -2.148 . . . . 25.0 105.199 171.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.69 -10.93 60.21 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.42 26.72 1.61 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.032 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.91 29.72 8.19 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.702 1.201 . . . . 25.0 113.298 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 21.23 9.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.799 0.809 . . . . 25.0 108.929 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.62 147.76 41.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.296 -0.866 . . . . 25.0 110.169 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.07 152.86 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 t -134.99 147.45 49.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -156.66 174.89 14.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.555 -1.646 . . . . 25.0 106.555 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -126.71 147.66 49.94 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.6 mt -126.24 147.24 49.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.23 128.07 43.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.84 161.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -81.97 168.23 18.08 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.07 75.3 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 12.12 12.24 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.819 -0.628 . . . . 25.0 112.553 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.85 129.57 41.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -69.6 147.65 50.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.051 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.85 -35.73 80.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -57.87 -40.08 79.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 25.0 110.364 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -78.05 -38.84 43.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 120.886 0.374 . . . . 25.0 110.328 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.46 -44.3 96.74 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.81 73.11 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.284 -0.567 . . . . 25.0 110.572 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.98 64.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.068 0.461 . . . . 25.0 110.268 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.55 -41.39 93.08 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.882 -0.511 . . . . 25.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 15.5 p -75.22 -26.04 58.61 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.238 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.55 -43.69 84.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.93 -44.68 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.533 -0.758 . . . . 25.0 111.725 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -70.81 -42.88 69.7 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 -178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.0 p -79.63 -22.33 43.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.89 14.2 82.85 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.792 -0.718 . . . . 25.0 114.463 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.2 pt -125.07 138.46 31.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 117.46 0.63 . . . . 25.0 109.339 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -64.44 134.69 42.68 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.477 1.299 . . . . 25.0 115.477 -172.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -23.98 64.46 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.82 63.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.012 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -100.58 9.91 41.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.587 0.708 . . . . 25.0 109.227 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.5 m -131.96 168.71 17.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.615 0.721 . . . . 25.0 111.721 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -128.49 146.82 50.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 106.822 -1.548 . . . . 25.0 106.822 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.7 tt -120.71 134.55 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.6 t -128.77 139.44 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 124.252 1.021 . . . . 25.0 110.046 -167.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -137.84 139.31 39.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 42.81 25.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.205 0.526 . . . . 25.0 110.832 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 58.83 12.88 2.46 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.661 1.726 . . . . 25.0 115.661 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -119.81 142.65 33.51 Favored Pre-proline 0 N--CA 1.47 0.533 0 O-C-N 121.609 -0.682 . . . . 25.0 110.818 175.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.09 145.59 49.91 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 116.566 -1.823 . . . . 25.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 12.1 mt -89.88 94.1 9.68 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.1 p -108.79 -24.24 11.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.85 1.796 . . . . 25.0 115.85 -174.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -85.64 79.33 9.39 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -67.06 -2.78 5.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.463 1.282 . . . . 25.0 114.463 -173.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.47 10.58 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.335 0.654 . . . . 25.0 112.368 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -118.11 143.91 46.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 122.072 -0.392 . . . . 25.0 110.989 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 81.5 p -76.02 160.38 29.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.918 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.91 -34.38 78.26 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.476 0.655 . . . . 25.0 112.582 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.94 -28.03 69.8 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.044 -0.41 . . . . 25.0 110.397 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.3 t -69.1 -16.95 63.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.853 0.316 . . . . 25.0 111.853 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -101.98 -6.18 23.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.13 20.65 56.99 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 119.116 -0.825 . . . . 25.0 113.828 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.92 85.91 0.7 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.538 1.169 . . . . 25.0 109.554 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -82.26 167.82 18.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.3 0.571 . . . . 25.0 110.877 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -55.34 126.32 24.5 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.671 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.92 -10.29 66.04 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.602 -0.726 . . . . 25.0 114.515 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.55 163.31 28.2 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 117.85 0.825 . . . . 25.0 111.22 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.8 t -125.31 139.38 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 -171.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.55 156.5 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.8 mt -121.63 128.7 75.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 10.0 tt -113.16 133.98 54.78 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.96 128.25 51.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.964 -0.46 . . . . 25.0 110.227 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 123.596 0.758 . . . . 25.0 111.065 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.2 p80 . . . . . 0 N--CA 1.458 -0.053 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -99.57 169.19 9.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.468 0.651 . . . . 25.0 112.232 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.8 tp -131.75 131.93 43.4 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.12 153.82 40.92 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -103.52 140.74 37.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.18 123.64 65.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -109.94 112.85 25.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.54 125.86 49.4 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.234 -0.291 . . . . 25.0 110.473 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.73 130.64 58.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-O 121.13 0.49 . . . . 25.0 110.93 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -125.08 145.38 49.95 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.972 -1.492 . . . . 25.0 106.972 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -65.11 -24.08 67.32 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.308 1.225 . . . . 25.0 114.308 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 16.07 2.57 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.206 0.447 . . . . 25.0 112.206 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.5 mt 58.09 28.06 15.83 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.496 1.141 . . . . 25.0 109.881 -173.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.6 t -89.27 25.54 1.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.968 -1.469 . . . . 25.0 107.718 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -72.68 150.99 42.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.793 -1.094 . . . . 25.0 109.461 -176.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.6 p -152.1 153.81 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 25.0 107.981 -174.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -130.97 142.56 50.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -155.06 176.92 11.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.862 -1.533 . . . . 25.0 106.862 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.9 m -128.45 148.49 50.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.903 0.319 . . . . 25.0 110.309 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.69 143.51 50.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.316 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.22 128.9 44.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.51 161.06 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 -175.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.15 167.67 10.07 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.64 72.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.137 0.494 . . . . 25.0 110.698 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -85.5 2.6 44.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.582 -0.736 . . . . 25.0 112.601 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.64 125.81 28.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.715 -0.616 . . . . 25.0 111.532 -176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.3 152.46 43.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.967 -0.561 . . . . 25.0 112.476 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 157' ' ' ASN . 0.1 OUTLIER -63.26 -35.51 80.59 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 170.768 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -58.85 -44.28 90.96 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.123 0.487 . . . . 25.0 111.163 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -73.67 -34.21 64.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.79 0.329 . . . . 25.0 110.15 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -63.37 -42.86 98.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -65.87 -30.01 70.55 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.471 -0.892 . . . . 25.0 110.829 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.28 63.87 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.266 0.555 . . . . 25.0 110.374 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.62 -36.66 84.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.518 0.675 . . . . 25.0 109.64 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.73 -35.56 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.391 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.46 -38.23 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.079 -0.341 . . . . 25.0 110.079 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.98 -44.13 97.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.71 -31.28 41.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.621 0.6 . . . . 25.0 112.621 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.8 p -89.83 -20.32 23.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 -174.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.53 70.95 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.328 0.891 . . . . 25.0 115.328 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.64 153.62 81.18 Favored Pre-proline 0 C--O 1.219 -0.518 0 CA-C-N 117.425 0.613 . . . . 25.0 110.4 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.49 124.47 12.91 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 116.697 -1.735 . . . . 25.0 113.211 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.51 -24.82 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.517 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.98 69.14 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -96.01 27.06 3.78 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.747 0.784 . . . . 25.0 109.973 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -140.74 159.49 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 -173.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.72 147.15 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.34 133.75 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.5 m -129.82 152.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.815 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -136.68 131.94 34.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 103.677 -2.712 . . . . 25.0 103.677 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.06 42.15 28.24 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -171.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 59.66 5.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.257 1.947 . . . . 25.0 116.257 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -109.09 139.8 21.32 Favored Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 121.646 -0.658 . . . . 25.0 109.712 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.48 145.33 52.67 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 116.992 -1.539 . . . . 25.0 116.042 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 80.4 mt -96.78 109.5 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 176.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 51.9 p -118.24 -35.67 3.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -172.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -81.66 96.51 7.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.869 0.842 . . . . 25.0 110.481 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 80.9 m-20 -65.08 -19.01 65.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -175.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -72.09 -19.16 61.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.38 0.609 . . . . 25.0 112.128 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -89.61 147.63 23.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.664 -0.647 . . . . 25.0 112.26 -176.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 93.7 p -78.87 161.05 27.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 109.446 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.89 -34.61 78.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.095 0.474 . . . . 25.0 111.309 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.09 71.19 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.189 -0.319 . . . . 25.0 110.305 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.7 t -69.95 -20.14 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.437 -0.165 . . . . 25.0 110.652 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -94.4 -5.59 46.04 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.7 21.16 56.76 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-O 119.264 -0.742 . . . . 25.0 113.355 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.56 86.72 0.89 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.271 1.035 . . . . 25.0 109.645 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -72.92 161.54 30.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.482 -0.781 . . . . 25.0 110.371 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -59.42 127.34 31.62 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 174.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.21 58.35 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.573 -0.74 . . . . 25.0 114.2 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.15 156.39 36.33 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.365 1.082 . . . . 25.0 110.745 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.28 139.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 25.0 110.614 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.17 156.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.8 mt -122.81 129.07 75.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.77 136.79 52.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -130.41 108.85 10.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 123.607 1.67 . . . . 25.0 111.724 -177.942 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 104.532 -2.396 . . . . 25.0 104.532 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 44.3 mtm -131.81 171.03 14.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.726 0.298 . . . . 25.0 110.794 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.76 133.06 47.97 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.74 152.63 47.5 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -101.18 137.63 39.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.18 122.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -106.57 114.79 29.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.75 130.91 44.68 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.9 t -115.37 131.88 66.37 Favored 'Isoleucine or valine' 0 C--O 1.245 0.84 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -124.71 145.74 49.53 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 169.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.4 -30.66 71.37 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.75 23.26 1.0 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.7 mt 56.11 30.89 17.17 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.508 1.123 . . . . 25.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.77 24.59 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -72.39 152.69 41.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.532 -1.213 . . . . 25.0 110.389 -174.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -150.55 154.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.412 -1.699 . . . . 25.0 106.412 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -132.55 142.68 49.28 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 175.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -150.34 176.15 11.16 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 106.477 -1.675 . . . . 25.0 106.477 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 91.7 p -128.81 152.58 48.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.5 mt -128.61 141.36 51.38 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.217 0.532 . . . . 25.0 110.366 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -91.54 127.74 37.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.716 -1.957 . . . . 25.0 105.716 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.68 -179.64 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 -174.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -108.96 166.96 10.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.787 -0.819 . . . . 25.0 108.787 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.23 91.37 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -92.89 15.53 14.61 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.694 0.759 . . . . 25.0 111.925 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.64 127.51 31.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.556 . . . . 25.0 110.518 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -69.98 148.6 48.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.812 0.339 . . . . 25.0 110.669 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.49 -28.16 69.47 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.115 -0.366 . . . . 25.0 111.467 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.79 -44.46 96.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.65 0.738 . . . . 25.0 109.351 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.92 -40.26 68.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.676 0.75 . . . . 25.0 109.592 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.09 -42.62 98.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -69.47 -29.6 67.3 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.611 -0.836 . . . . 25.0 111.315 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.76 79.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 mp -63.12 -43.38 98.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.653 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.6 p -76.74 -25.07 53.08 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 119.685 -0.806 . . . . 25.0 112.022 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.46 -41.49 96.48 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.45 -45.21 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.821 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -68.98 -35.72 77.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.275 0.559 . . . . 25.0 111.184 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.1 m -80.23 -26.01 39.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.52 30.42 73.1 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.49 0.556 . . . . 25.0 114.49 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.04 152.58 77.74 Favored Pre-proline 0 N--CA 1.473 0.71 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -68.87 134.52 30.1 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 115.812 -2.325 . . . . 25.0 112.998 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.05 67.87 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.965 -0.459 . . . . 25.0 110.737 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.79 -22.33 66.96 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -103.49 8.5 37.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.976 0.362 . . . . 25.0 111.976 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 78.6 p -143.4 167.28 22.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -173.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.35 160.3 38.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 tt -124.98 134.93 65.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.306 -0.628 . . . . 25.0 109.306 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.16 138.4 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 124.247 1.019 . . . . 25.0 110.551 -168.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -142.84 143.72 32.22 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.453 -1.314 . . . . 25.0 107.453 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.09 44.94 28.44 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.837 0.455 . . . . 25.0 110.773 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.7 9.76 2.32 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.25 1.574 . . . . 25.0 115.25 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.14 145.08 54.05 Favored Pre-proline 0 N--CA 1.466 0.353 0 O-C-N 121.771 -0.581 . . . . 25.0 112.17 -178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.87 145.02 49.67 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 116.39 -1.94 . . . . 25.0 112.166 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.6 mt -88.3 80.46 7.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -80.74 -39.27 27.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.276 1.584 . . . . 25.0 115.276 -171.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -83.76 89.66 7.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.713 0.768 . . . . 25.0 110.394 -176.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -71.22 -7.67 48.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.418 1.266 . . . . 25.0 114.418 -174.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -83.52 -15.83 47.87 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.133 0.492 . . . . 25.0 111.532 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.39 153.31 22.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.713 -0.617 . . . . 25.0 111.335 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.9 p -81.62 161.54 23.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.814 -0.63 . . . . 25.0 110.506 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.13 -36.49 84.19 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.89 70.87 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.191 -0.318 . . . . 25.0 110.621 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 23.0 t -66.75 -19.85 65.84 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.172 -0.33 . . . . 25.0 111.253 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -101.36 -2.82 30.01 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.903 0.382 . . . . 25.0 110.07 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 78.98 28.64 53.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-O 119.169 -0.795 . . . . 25.0 112.694 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.01 83.89 1.26 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.633 1.217 . . . . 25.0 109.454 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -68.41 151.56 46.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.241 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.47 133.12 55.8 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.61 -11.03 66.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.628 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.87 164.95 26.01 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 118.884 1.342 . . . . 25.0 112.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 24.1 t -115.27 132.4 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.468 0.651 . . . . 25.0 111.924 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 4.1 t -112.08 144.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.234 -1.395 . . . . 25.0 107.234 178.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.41 120.78 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.377 0.608 . . . . 25.0 109.477 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.1 tt -99.4 130.92 45.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.545 -2.02 . . . . 25.0 105.545 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -124.33 120.04 31.01 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.306 -0.872 . . . . 25.0 112.66 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.208 -1.115 0 CA-C-O 123.89 1.805 . . . . 25.0 109.737 168.754 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -131.73 164.96 24.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.818 -0.438 . . . . 25.0 109.818 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -122.28 133.59 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.01 154.39 39.92 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.39 138.09 47.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.131 -1.063 . . . . 25.0 108.131 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.59 131.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -117.04 113.44 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.713 -1.218 . . . . 25.0 107.713 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 78.8 m -98.96 135.7 40.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.84 131.94 70.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 122.893 0.477 . . . . 25.0 111.921 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -124.29 148.27 47.54 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -66.04 -22.38 66.43 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.51 18.53 2.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 25.0 111.583 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.9 mt 57.09 28.82 15.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.09 0.956 . . . . 25.0 111.476 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.7 m -90.45 26.04 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 25.0 109.284 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.35 148.1 45.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.844 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.48 157.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 -173.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -136.24 149.67 48.62 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.023 -1.103 . . . . 25.0 108.023 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.55 173.15 17.35 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.09 -1.818 . . . . 25.0 106.09 -176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.8 m -124.84 150.02 46.85 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.095 -0.706 . . . . 25.0 109.095 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.07 143.55 51.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -102.36 125.98 49.24 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.547 -1.649 . . . . 25.0 106.547 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.64 166.58 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.43 166.96 12.97 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.5 74.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.42 -5.16 57.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 25.0 112.299 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.5 127.71 32.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.288 0.566 . . . . 25.0 110.879 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' A' ' 129' ' ' ASN . 1.6 pm0 -79.27 150.85 31.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.164 0.801 . . . . 25.0 113.164 -174.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 25.0 109.685 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -58.69 -44.84 90.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 25.0 112.067 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.517 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 76.0 m-20 -80.76 -30.34 36.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.167 -0.47 . . . . 25.0 109.98 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.13 -45.48 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.97 -0.457 . . . . 25.0 112.046 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -65.74 -28.29 68.93 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.043 -0.663 . . . . 25.0 110.856 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.9 70.59 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.98 -37.74 88.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.676 -0.491 . . . . 25.0 109.676 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.08 -40.61 94.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.92 -0.487 . . . . 25.0 110.512 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.53 -40.33 96.45 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.087 0.555 . . . . 25.0 110.709 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.84 -45.91 90.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 25.0 112.085 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -79.36 -34.7 41.81 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.675 0.621 . . . . 25.0 112.675 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 89.7 p -81.65 -24.59 36.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.32 70.38 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 115.068 0.787 . . . . 25.0 115.068 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.4 pt -125.2 145.65 51.3 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.27 128.22 23.25 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 116.407 -1.928 . . . . 25.0 114.177 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.17 -27.3 67.91 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.78 -24.83 67.02 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -95.96 -0.69 50.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 25.0 110.672 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 m -119.38 161.01 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -170.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -121.54 146.36 47.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.35 -0.982 . . . . 25.0 108.35 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -121.75 131.05 73.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 -175.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.42 133.88 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.489 0.716 . . . . 25.0 111.228 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -136.54 139.78 42.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.35 -1.722 . . . . 25.0 106.35 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.39 41.52 28.32 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 123.002 0.521 . . . . 25.0 111.482 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.65 13.68 3.56 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.051 1.501 . . . . 25.0 115.051 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -119.48 136.92 24.92 Favored Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 121.733 -0.604 . . . . 25.0 110.716 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.65 149.42 48.91 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 115.995 -2.203 . . . . 25.0 112.059 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.1 mt -99.46 89.99 4.36 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.2 p -99.42 -20.86 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.849 1.425 . . . . 25.0 114.849 -172.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.96 99.37 12.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -65.65 -20.07 66.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.391 -0.822 . . . . 25.0 112.484 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -83.53 -6.03 59.33 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -90.97 148.24 22.55 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 121.353 -0.842 . . . . 25.0 109.923 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 92.7 p -79.59 159.04 26.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 173.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 35.6 mt -65.22 -33.39 75.88 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.451 0.643 . . . . 25.0 110.951 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.043 -0.411 . . . . 25.0 110.005 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.86 -17.1 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.266 -0.271 . . . . 25.0 110.724 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.53 -6.36 40.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.04 19.7 56.96 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 114.267 0.467 . . . . 25.0 114.267 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.23 88.6 0.84 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.53 0.665 . . . . 25.0 111.009 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.07 155.74 33.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.598 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -59.69 130.65 47.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.97 -11.55 67.68 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.584 -0.734 . . . . 25.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -65.72 148.8 51.16 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.162 0.981 . . . . 25.0 111.086 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.3 t -108.61 128.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.784 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.52 135.73 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.194 -1.039 . . . . 25.0 108.194 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.27 120.48 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.4 tt -113.27 131.47 55.91 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -130.73 132.04 45.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -172.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 118.118 -0.944 . . . . 25.0 109.866 170.405 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 p80 . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 105.031 -2.211 . . . . 25.0 105.031 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -144.48 164.6 30.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.187 -0.671 . . . . 25.0 109.187 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.25 130.02 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.29 153.71 38.56 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -104.97 141.06 37.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.4 124.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.27 109.07 19.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.3 t -93.69 134.3 36.15 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.7 t -127.55 131.34 70.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.142 0.496 . . . . 25.0 111.962 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.24 147.17 50.22 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 171.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -66.17 -25.89 67.16 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 111.899 0.333 . . . . 25.0 111.899 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -81.18 23.18 0.6 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt 57.46 29.75 17.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.507 1.123 . . . . 25.0 112.11 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.97 21.16 4.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.411 -0.813 . . . . 25.0 109.059 176.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.56 146.08 46.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.164 -0.925 . . . . 25.0 111.111 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 148.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -125.96 143.03 51.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -155.61 174.48 15.21 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.789 -1.56 . . . . 25.0 106.789 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -130.19 149.78 51.74 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.0 mt -130.28 148.04 52.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.077 -0.511 . . . . 25.0 110.752 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -97.42 127.99 43.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.6 m -140.44 163.16 23.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -83.44 161.59 21.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.02 73.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 25.0 109.89 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.97 8.78 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.415 -0.811 . . . . 25.0 112.625 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -63.92 127.04 29.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.257 0.551 . . . . 25.0 109.985 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.2 149.57 47.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.622 -177.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -61.68 -35.59 78.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.267 178.136 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -60.37 -46.78 88.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 25.0 110.0 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -69.22 -31.65 70.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.6 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -63.39 -41.43 98.76 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.17 -0.331 . . . . 25.0 111.685 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -60.77 -44.89 96.19 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.091 0.472 . . . . 25.0 109.938 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.7 98.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 25.0 111.229 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.08 -37.46 85.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.284 0.564 . . . . 25.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.73 -41.58 99.25 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.585 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.62 -41.56 99.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.542 0.337 . . . . 25.0 110.179 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.08 -48.73 78.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.926 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.63 -43.08 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.373 0.606 . . . . 25.0 111.884 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.4 t -79.93 -16.1 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.82 24.97 75.07 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.347 -0.454 . . . . 25.0 113.914 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.1 pt -133.94 145.84 57.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -65.39 133.76 36.11 Favored 'Trans proline' 0 C--O 1.238 0.511 0 C-N-CA 115.992 -2.205 . . . . 25.0 113.069 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.25 68.3 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.78 71.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.756 0.312 . . . . 25.0 111.775 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -83.55 9.62 10.95 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.595 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.3 p -137.24 160.67 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 116.419 2.007 . . . . 25.0 116.419 -173.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -120.03 152.95 36.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.728 -1.124 . . . . 25.0 108.045 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.2 tt -121.37 136.16 59.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.33 138.46 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -138.12 131.24 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.94 41.77 27.42 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.147 0.499 . . . . 25.0 110.546 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 60.73 11.49 3.18 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.202 1.556 . . . . 25.0 115.202 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -110.96 132.2 21.77 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 121.721 -0.612 . . . . 25.0 109.403 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -70.89 146.86 54.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 115.256 -2.696 . . . . 25.0 111.361 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.489 ' HB3' HD11 ' A' ' 127' ' ' LEU . 81.4 mt -102.56 98.75 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 75.0 p -115.41 -22.84 9.13 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 87.76 7.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.116 0.96 . . . . 25.0 110.054 -177.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.96 -15.3 62.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.706 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.07 3.88 4.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.858 1.058 . . . . 25.0 113.858 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -120.83 141.17 50.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.523 -0.736 . . . . 25.0 110.789 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.13 161.48 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.516 -0.765 . . . . 25.0 109.851 176.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.01 -38.98 93.36 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.218 0.822 . . . . 25.0 113.218 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.67 70.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 122.046 -0.409 . . . . 25.0 110.758 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 15.6 m -69.53 -17.07 63.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -98.44 -2.86 38.04 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.56 18.05 59.24 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 119.3 -0.722 . . . . 25.0 113.631 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.86 86.42 2.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 118.503 1.151 . . . . 25.0 108.249 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -83.74 169.62 15.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.26 125.54 22.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.604 0.716 . . . . 25.0 110.105 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.32 -14.26 59.64 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.095 -0.957 . . . . 25.0 114.014 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.82 154.55 41.73 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 118.217 1.008 . . . . 25.0 109.275 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -126.67 138.51 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.568 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.08 160.76 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.03 132.45 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 106.962 -1.496 . . . . 25.0 106.962 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tp -116.8 134.52 54.69 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -119.84 117.15 27.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 123.167 1.46 . . . . 25.0 110.947 -179.447 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 p80 . . . . . 0 C--O 1.237 0.431 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -133.86 172.05 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.08 128.2 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.25 149.3 42.0 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -104.24 140.87 37.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.23 126.34 72.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.03 108.4 19.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.8 t -97.63 116.37 29.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.953 0.406 . . . . 25.0 110.004 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.45 119.65 47.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-O 121.403 0.62 . . . . 25.0 112.204 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -97.77 136.8 37.58 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 105.369 -2.086 . . . . 25.0 105.369 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.29 -16.04 63.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.766 0.317 . . . . 25.0 111.767 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -92.12 25.24 2.95 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.879 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.7 mt 58.21 18.81 5.64 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 25.78 1.45 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.77 0.795 . . . . 25.0 110.122 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.42 153.17 41.56 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.897 -1.047 . . . . 25.0 112.172 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.87 158.49 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.647 -1.242 . . . . 25.0 107.647 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -133.95 149.21 51.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 174.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -154.73 170.54 21.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.405 -1.702 . . . . 25.0 106.405 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.4 m -129.33 147.98 51.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.028 -0.36 . . . . 25.0 110.028 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.6 mt -131.37 149.05 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -106.64 134.18 50.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 m -148.44 168.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -87.28 166.92 14.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 172.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.02 -35.28 76.47 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 122.173 -0.33 . . . . 25.0 111.141 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -90.44 4.38 51.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.507 0.67 . . . . 25.0 111.997 -176.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.15 132.9 54.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.445 -0.798 . . . . 25.0 109.833 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 3.4 mp0 -68.86 147.19 52.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 25.0 111.334 -176.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -34.3 77.33 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.963 -0.46 . . . . 25.0 110.21 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -61.41 -38.59 87.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.542 0.687 . . . . 25.0 109.81 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.31 -42.65 62.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.734 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -60.76 -43.3 98.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -67.39 -29.84 69.46 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.062 -0.655 . . . . 25.0 111.155 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.23 71.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mp -62.05 -44.84 95.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.33 -0.396 . . . . 25.0 110.828 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.3 p -73.94 -25.32 59.9 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 119.644 -0.822 . . . . 25.0 111.358 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -67.69 -44.53 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.91 -45.04 91.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.227 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -67.98 -41.51 82.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.097 0.475 . . . . 25.0 111.428 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.3 t -77.89 -22.22 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.11 32.75 77.18 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 114.509 0.564 . . . . 25.0 114.509 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 42.2 pt -125.13 150.6 67.37 Favored Pre-proline 0 C--O 1.216 -0.702 0 CA-C-N 117.415 0.607 . . . . 25.0 110.482 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -69.89 127.87 15.11 Favored 'Trans proline' 0 C--O 1.24 0.582 0 C-N-CA 115.959 -2.227 . . . . 25.0 112.326 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.33 67.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.046 -0.409 . . . . 25.0 111.173 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.11 69.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.948 0.404 . . . . 25.0 111.875 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -97.73 13.99 28.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.221 -0.445 . . . . 25.0 111.931 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.7 p -147.85 170.93 16.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -138.12 151.64 47.97 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.9 tt -118.13 131.55 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 121.452 0.644 . . . . 25.0 109.338 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.0 t -127.72 140.27 49.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.121 -0.945 . . . . 25.0 110.4 -169.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -140.8 138.44 34.06 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.34 42.17 28.84 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.251 0.548 . . . . 25.0 110.987 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 59.76 11.71 2.61 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.059 1.503 . . . . 25.0 115.059 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -118.19 139.88 27.28 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.664 -0.647 . . . . 25.0 110.481 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -70.71 143.31 45.92 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 115.819 -2.321 . . . . 25.0 111.792 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.63 65.87 9.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.873 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 31.8 p -73.11 -42.2 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -173.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -82.57 89.09 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.929 0.871 . . . . 25.0 110.201 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -72.89 -11.98 60.79 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -171.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -80.4 -6.84 58.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -173.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -90.74 157.49 17.39 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.378 -0.374 . . . . 25.0 110.777 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.7 p -79.79 163.0 24.78 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 173.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 48.0 mt -67.67 -30.27 69.76 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.541 0.686 . . . . 25.0 110.61 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.04 69.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.695 -0.684 . . . . 25.0 111.04 175.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 26.2 t -66.58 -25.85 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.554 0.216 . . . . 25.0 111.146 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.49 -4.06 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.284 0.564 . . . . 25.0 109.658 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 73.58 24.4 74.81 Favored Glycine 0 C--O 1.238 0.406 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.1 mt -73.33 83.37 1.41 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.09 0.471 . . . . 25.0 110.443 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -78.97 168.57 19.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.653 0.739 . . . . 25.0 112.542 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.57 129.39 40.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.141 -0.936 . . . . 25.0 110.192 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.18 -11.32 67.45 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.885 -1.052 . . . . 25.0 113.878 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.85 159.3 33.96 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 118.46 1.13 . . . . 25.0 111.037 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 18.2 t -122.83 134.56 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.653 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.37 154.12 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 65.9 mt -118.44 115.49 48.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.747 0.784 . . . . 25.0 109.104 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.8 124.61 36.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.311 -2.107 . . . . 25.0 105.311 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -114.45 112.22 22.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.173 0.511 . . . . 25.0 111.294 -173.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.211 -0.941 0 CA-C-O 123.723 1.725 . . . . 25.0 111.595 175.539 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 103.477 -2.786 . . . . 25.0 103.477 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.4 mtm -122.94 161.48 24.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 -178.217 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.7 tp -123.02 124.06 42.28 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 106.753 -1.573 . . . . 25.0 106.753 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -118.82 148.74 42.53 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -102.89 139.29 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 56.7 t -123.41 125.25 71.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.578 -1.268 . . . . 25.0 107.578 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 177.564 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.6 t -97.86 132.3 43.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 t -124.49 134.7 66.03 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.331 0.586 . . . . 25.0 112.292 -177.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -124.72 146.59 49.09 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 173.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -69.81 -16.89 63.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.53 15.41 4.58 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.048 -0.978 . . . . 25.0 111.047 179.172 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.9 mt 58.18 25.29 12.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.665 1.186 . . . . 25.0 113.855 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.67 25.91 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.248 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.33 147.56 46.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.673 -0.694 . . . . 25.0 112.301 -172.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.01 151.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 -174.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -131.63 143.69 50.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -152.91 172.26 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -177.286 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -130.63 149.53 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 -179.072 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.2 mt -132.84 143.55 49.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.086 -0.506 . . . . 25.0 110.791 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -90.98 129.31 37.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.64 162.61 26.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.495 -175.46 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.95 167.03 13.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 178.119 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.36 86.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.663 -178.15 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -95.52 15.59 19.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.355 0.598 . . . . 25.0 111.061 -175.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.09 131.47 48.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 176.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.25 149.66 47.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.27 -0.269 . . . . 25.0 110.66 -176.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -31.19 72.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 171.008 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -58.56 -42.36 87.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 25.0 111.883 175.374 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.98 -37.76 46.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.299 0.571 . . . . 25.0 109.736 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -61.71 -43.68 98.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -65.86 -29.61 70.09 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.756 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.07 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.254 0.55 . . . . 25.0 109.635 177.115 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.85 -43.5 98.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.247 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 11.0 p -73.9 -24.45 59.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.107 -0.637 . . . . 25.0 111.419 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -66.34 -40.88 90.12 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 177.333 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.56 -43.69 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.007 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -67.86 -39.11 83.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.077 0.465 . . . . 25.0 111.798 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.7 m -76.46 -26.34 55.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.444 -0.343 . . . . 25.0 111.668 -177.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.79 12.72 80.85 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.469 -0.396 . . . . 25.0 114.045 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.77 132.68 19.62 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 107.321 -1.363 . . . . 25.0 107.321 -176.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.04 131.03 43.46 Favored 'Trans proline' 0 C--N 1.352 0.729 0 N-CA-C 116.504 1.694 . . . . 25.0 116.504 -176.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.82 64.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.718 -1.128 . . . . 25.0 109.792 176.361 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.45 65.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 25.0 112.186 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -98.5 22.43 9.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.925 0.393 . . . . 25.0 110.575 -179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.4 p -142.86 178.47 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 -174.172 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -129.63 144.5 51.31 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 106.749 -1.575 . . . . 25.0 106.749 174.511 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -126.23 132.51 70.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 26.5 m -129.88 152.95 38.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 123.079 0.552 . . . . 25.0 109.862 -175.699 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -133.81 131.59 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.89 -1.893 . . . . 25.0 105.89 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.75 43.2 28.14 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.168 0.509 . . . . 25.0 110.568 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.47 16.06 7.22 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.066 1.876 . . . . 25.0 116.066 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -125.09 142.33 40.98 Favored Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.51 148.46 42.62 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 116.639 -1.774 . . . . 25.0 114.948 -173.397 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.93 67.77 3.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.15 -1.055 . . . . 25.0 108.15 178.582 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 12.6 p -72.32 -32.43 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -85.8 88.67 7.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.103 0.477 . . . . 25.0 110.422 -175.321 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -66.97 -16.45 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.881 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -72.0 -23.94 61.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.994 -0.548 . . . . 25.0 111.754 178.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -75.65 150.44 37.96 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.793 -0.567 . . . . 25.0 110.386 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 90.3 p -81.94 164.72 21.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.3 -1.37 . . . . 25.0 107.3 170.275 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.44 -35.21 80.18 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.385 0.612 . . . . 25.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.46 -30.13 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.716 177.341 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.7 m -71.42 -16.69 62.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.822 0.344 . . . . 25.0 111.671 177.749 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.06 -9.84 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.033 0.445 . . . . 25.0 110.096 174.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 21.67 63.95 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -176.381 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.81 86.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.973 0.892 . . . . 25.0 111.157 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.78 156.56 38.12 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 114.833 -1.076 . . . . 25.0 111.38 178.028 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -59.62 129.78 43.62 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 174.224 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.62 -15.05 58.87 Favored Glycine 0 C--O 1.23 -0.15 0 CA-C-N 115.607 -0.724 . . . . 25.0 113.571 -176.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -66.94 153.79 42.7 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 118.048 0.924 . . . . 25.0 110.987 178.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 20.6 t -116.38 133.47 62.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-N 115.379 -0.828 . . . . 25.0 109.795 -178.097 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.75 154.54 12.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 N-CA-C 106.614 -1.624 . . . . 25.0 106.614 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 81.2 mt -121.96 123.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -174.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.5 tt -109.72 127.39 54.57 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.184 -1.414 . . . . 25.0 107.184 179.114 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -108.18 106.45 16.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.42 0.629 . . . . 25.0 109.449 -178.421 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 124.155 1.931 . . . . 25.0 112.884 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 41.9 mtm -130.57 149.19 52.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 173.571 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.1 tp -111.82 130.2 55.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.199 -1.408 . . . . 25.0 107.199 175.075 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -124.12 144.76 49.7 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.0 m -94.22 139.57 30.87 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 178.273 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.0 t -125.12 130.26 73.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.59 113.0 22.1 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 177.858 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.0 m -103.17 116.58 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.903 0.382 . . . . 25.0 110.12 -177.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.07 114.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.057 0.456 . . . . 25.0 111.98 -177.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -84.61 147.18 27.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 169.496 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -68.7 -9.31 49.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.552 0.691 . . . . 25.0 110.207 175.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.83 17.31 13.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.869 1.268 . . . . 25.0 111.691 -177.428 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.4 mt 58.65 15.65 3.82 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.35 26.14 0.8 Allowed 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.047 0.939 . . . . 25.0 112.03 177.361 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -72.49 150.4 43.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.551 -0.75 . . . . 25.0 112.379 -166.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.07 158.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.867 -1.16 . . . . 25.0 107.867 -171.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -137.11 149.59 47.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 175.705 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -157.93 177.53 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 105.313 -2.106 . . . . 25.0 105.313 -177.197 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.9 p -127.21 149.86 49.8 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.4 mt -125.44 147.19 49.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -102.93 131.89 49.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 177.307 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.86 178.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -173.089 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -111.51 169.71 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.249 -1.389 . . . . 25.0 107.249 171.535 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.38 90.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.29 -0.1 56.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -176.084 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -60.49 128.98 39.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.245 0.545 . . . . 25.0 110.946 -177.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.06 150.46 47.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.308 -175.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.07 -29.18 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.574 -0.284 . . . . 25.0 111.032 175.127 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -61.65 -48.2 81.94 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.368 -0.605 . . . . 25.0 109.368 177.564 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -73.63 -30.03 62.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 25.0 110.685 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.72 -47.6 77.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.08 -0.388 . . . . 25.0 110.899 177.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -68.88 -27.97 66.27 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 119.678 -0.809 . . . . 25.0 110.087 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.72 90.26 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 176.359 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.25 -41.01 94.72 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 177.081 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.7 t -61.96 -44.76 96.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 25.0 111.098 178.275 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -35.8 82.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.396 -0.19 . . . . 25.0 111.295 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.609 -0.268 . . . . 25.0 110.396 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.12 -40.41 82.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.342 0.592 . . . . 25.0 110.849 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.0 t -79.35 -27.24 41.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.43 33.08 40.27 Favored Glycine 0 C--N 1.329 0.164 0 C-N-CA 121.064 -0.589 . . . . 25.0 113.24 176.463 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.8 pt -120.47 154.39 56.66 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.009 0.744 . . . . 25.0 113.009 -174.104 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.96 134.54 27.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 116.988 -1.541 . . . . 25.0 112.259 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.99 68.75 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.56 -27.38 66.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.692 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -97.04 6.41 48.64 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.325 -0.398 . . . . 25.0 111.891 -174.192 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.6 p -127.56 150.93 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.479 1.288 . . . . 25.0 114.479 -174.316 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -132.87 135.48 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 177.659 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -109.61 130.93 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 -174.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.0 136.68 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.311 0.644 . . . . 25.0 111.623 -170.118 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -130.46 135.43 47.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 175.755 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 48.44 42.04 17.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.282 0.633 . . . . 25.0 112.395 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.92 25.44 15.42 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.379 1.622 . . . . 25.0 115.379 -177.56 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -130.22 134.63 26.33 Favored Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 121.35 -0.844 . . . . 25.0 108.767 171.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.61 146.4 54.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 116.133 -2.111 . . . . 25.0 110.664 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.59 63.96 7.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.33 0.586 . . . . 25.0 109.791 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -71.07 -30.43 66.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -82.36 72.95 9.43 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 175.461 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -70.46 -12.89 61.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.347 -175.002 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.86 -5.95 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.873 0.368 . . . . 25.0 111.774 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -86.97 156.39 19.8 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.963 -0.755 . . . . 25.0 108.963 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 94.7 p -80.68 164.89 22.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.069 174.495 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.18 -39.48 92.82 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.176 0.512 . . . . 25.0 110.974 177.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.97 -30.18 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 25.0 111.463 176.694 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.0 m -70.12 -16.58 63.13 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -102.0 -8.99 21.02 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 175.199 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 88.03 20.54 49.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-O 119.503 -0.61 . . . . 25.0 113.942 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.4 84.76 1.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.242 1.021 . . . . 25.0 110.913 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.44 161.97 30.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.161 -0.927 . . . . 25.0 111.026 177.471 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.1 131.09 44.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 173.269 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.87 -8.98 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.96 -0.564 . . . . 25.0 114.007 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.45 167.42 21.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.783 0.792 . . . . 25.0 110.533 179.137 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.4 p -130.59 140.6 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.786 0.803 . . . . 25.0 113.096 -173.122 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.12 139.46 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.2 mt -112.79 127.36 70.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.915 . . . . 25.0 108.528 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -114.2 141.84 47.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 177.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -123.7 130.2 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 175.44 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 123.699 1.714 . . . . 25.0 111.064 179.716 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 69.2 m80 . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.5 mtm -133.0 166.75 21.68 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.8 -1.556 . . . . 25.0 106.8 175.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -126.47 130.15 50.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -122.42 145.9 47.86 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -100.03 138.85 36.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 178.225 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t -125.12 122.77 63.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -99.28 112.94 25.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 173.607 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.5 t -100.26 116.57 32.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -177.46 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.34 125.39 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -116.24 149.14 39.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 114.685 1.365 . . . . 25.0 114.685 -171.609 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.98 29.07 1.43 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -175.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt 58.77 25.38 13.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.508 1.123 . . . . 25.0 112.224 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.93 25.97 1.05 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.903 -1.044 . . . . 25.0 111.435 179.268 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.4 151.69 42.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 25.0 112.807 -170.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.78 161.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.582 -1.636 . . . . 25.0 106.582 -173.335 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -129.8 145.4 51.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 174.846 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -154.72 176.54 12.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -176.68 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.5 m -131.5 151.15 51.81 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.0 148.41 49.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.421 0.451 . . . . 25.0 110.446 -177.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -98.25 128.76 44.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 176.292 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.67 171.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 -172.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -98.84 165.92 11.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 173.579 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.84 83.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.673 -0.642 . . . . 25.0 110.631 174.275 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -89.98 4.37 50.32 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.663 0.744 . . . . 25.0 111.893 -176.609 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -59.8 131.05 49.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.1 152.68 42.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 -177.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -30.72 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 172.444 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.857 173.584 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -75.3 -33.27 61.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.316 0.579 . . . . 25.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -63.22 -45.01 93.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.071 -0.393 . . . . 25.0 112.027 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -28.02 66.13 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 119.868 -0.733 . . . . 25.0 110.863 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.15 69.82 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.207 0.527 . . . . 25.0 109.819 176.228 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 tp -63.4 -41.67 98.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.527 0.679 . . . . 25.0 109.484 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.38 -39.39 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.629 177.056 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.92 -43.63 98.33 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.687 0.395 . . . . 25.0 110.05 179.131 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.12 -47.44 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.634 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.74 -37.11 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.356 0.598 . . . . 25.0 112.296 -177.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 38.1 m -80.74 -22.77 39.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.078 0.399 . . . . 25.0 112.078 -177.604 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.14 17.85 79.14 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 121.063 -0.589 . . . . 25.0 112.79 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -136.57 144.37 46.97 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -63.8 130.14 26.89 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 116.512 -1.859 . . . . 25.0 113.336 -179.436 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.65 -24.62 67.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.49 67.85 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.863 -0.608 . . . . 25.0 112.209 178.503 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -99.04 14.1 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.085 0.469 . . . . 25.0 110.895 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -138.88 164.58 29.3 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -175.548 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.74 129.44 56.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.777 -1.194 . . . . 25.0 107.777 175.496 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 12.7 tt -107.54 132.68 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.5 t -127.84 138.21 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.343 -0.844 . . . . 25.0 110.746 -169.205 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -135.89 134.56 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 176.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.98 44.29 28.56 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.213 0.53 . . . . 25.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 59.97 9.71 1.88 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.279 1.585 . . . . 25.0 115.279 -178.455 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -117.17 134.55 23.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 121.802 -0.561 . . . . 25.0 110.441 178.823 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 148.27 74.3 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 115.289 -2.674 . . . . 25.0 112.186 178.821 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.84 112.54 24.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 56.1 p -111.6 -26.32 9.09 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.536 1.31 . . . . 25.0 114.536 -174.056 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.73 95.13 9.71 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -177.334 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -67.07 -29.09 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -177.114 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.97 -10.02 59.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.276 0.56 . . . . 25.0 112.168 -177.703 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -72.78 142.63 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 86.5 p -79.46 166.89 21.52 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.826 -1.176 . . . . 25.0 107.826 172.207 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.22 -39.77 93.92 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.095 -0.378 . . . . 25.0 110.021 178.249 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.2 69.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.4 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.6 m -71.13 -18.37 62.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -96.78 -10.58 26.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.214 -0.291 . . . . 25.0 110.214 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.43 20.82 63.47 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -174.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.67 77.21 4.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.941 0.877 . . . . 25.0 110.031 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -71.64 166.93 20.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.007 -1.451 . . . . 25.0 112.666 -178.522 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -59.25 131.36 50.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.366 -0.834 . . . . 25.0 108.926 172.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.16 70.48 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.203 -0.908 . . . . 25.0 113.079 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.24 167.22 20.57 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.418 1.109 . . . . 25.0 111.49 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.33 142.11 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -172.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 162.65 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 176.644 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 122.41 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -104.61 133.93 48.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 177.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -127.02 115.89 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 25.0 111.206 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 125.235 2.445 . . . . 25.0 110.501 176.234 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 . . . . . 0 N--CA 1.443 -0.79 0 N-CA-C 104.468 -2.419 . . . . 25.0 104.468 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -125.95 167.02 15.85 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.255 -0.276 . . . . 25.0 110.255 -176.47 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.7 tp -112.6 133.53 54.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.028 -177.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.89 145.43 48.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 174.551 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.2 m -99.04 140.41 33.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.04 130.17 73.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 -178.469 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.03 114.22 25.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.1 t -97.5 130.91 44.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.9 t -119.16 131.96 70.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.173 0.511 . . . . 25.0 111.518 -177.809 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -113.5 152.42 30.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.209 -1.404 . . . . 25.0 107.209 172.458 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -20.39 66.2 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.046 0.45 . . . . 25.0 110.82 174.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -91.1 16.99 8.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.323 -0.853 . . . . 25.0 111.723 -177.623 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.3 mt 54.49 26.82 7.56 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 179.156 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.63 25.57 1.23 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.91 0.884 . . . . 25.0 110.093 176.69 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.64 149.07 44.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 25.0 112.131 -169.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.08 157.85 5.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 107.345 -1.354 . . . . 25.0 107.345 -172.049 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -134.82 149.37 50.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 175.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -157.05 175.73 13.69 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.298 -2.112 . . . . 25.0 105.298 -176.34 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.19 152.11 49.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 178.756 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.2 mt -128.91 147.65 50.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.097 -177.405 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -99.53 129.32 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.956 -1.498 . . . . 25.0 106.956 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.73 156.27 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 -174.873 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.08 163.57 20.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 176.786 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.48 91.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.27 0.557 . . . . 25.0 109.938 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -92.71 11.78 25.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.543 0.687 . . . . 25.0 112.318 -177.379 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -64.6 138.33 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.82 144.76 55.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.794 0.294 . . . . 25.0 111.794 -177.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.31 -34.6 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 172.889 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -56.54 -48.32 77.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.419 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.23 -30.81 54.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.478 -0.328 . . . . 25.0 110.753 -177.798 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.12 -50.35 72.26 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.064 -0.397 . . . . 25.0 110.471 177.556 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -66.48 -31.69 72.58 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 119.78 -0.768 . . . . 25.0 110.155 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.83 98.63 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.206 0.457 . . . . 25.0 109.86 178.273 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.18 -37.25 80.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 176.46 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.618 -0.512 . . . . 25.0 109.618 176.868 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -30.99 69.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.881 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.69 -47.29 75.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.681 0.277 . . . . 25.0 110.603 178.401 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -73.0 -34.35 66.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 25.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 72.1 p -83.02 -30.86 27.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -178.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.2 30.78 40.56 Favored Glycine 0 CA--C 1.513 -0.044 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.913 173.504 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -114.43 152.76 46.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 122.531 -0.394 . . . . 25.0 110.582 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.76 130.18 25.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 117.037 -1.509 . . . . 25.0 112.88 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -178.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.91 58.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 -178.013 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -120.58 22.95 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 25.0 111.104 -173.752 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.9 t -144.95 159.22 43.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.849 0.356 . . . . 25.0 111.128 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -132.91 152.64 51.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 173.261 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.1 tt -115.41 133.35 61.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 -178.05 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -122.97 135.11 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.516 -0.766 . . . . 25.0 110.875 -170.505 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -137.94 137.59 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.796 -1.187 . . . . 25.0 107.796 178.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.11 41.17 27.26 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.192 0.52 . . . . 25.0 110.753 -176.434 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.9 12.74 3.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.385 1.624 . . . . 25.0 115.385 -178.212 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -119.3 141.33 30.41 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 178.66 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.11 147.62 48.87 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 115.505 -2.53 . . . . 25.0 111.535 178.35 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.21 110.91 22.3 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 176.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 66.9 p -106.94 -34.83 7.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -173.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -81.99 98.79 8.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.791 0.805 . . . . 25.0 109.276 -175.34 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.31 -25.82 67.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.006 -176.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.6 -0.45 42.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 -175.355 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -91.45 151.51 20.77 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.824 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.5 p -83.85 167.1 17.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.593 -0.892 . . . . 25.0 108.593 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 71.7 mt -68.41 -32.86 73.2 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.988 -0.445 . . . . 25.0 111.034 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.509 174.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 43.7 m -70.78 -16.54 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 178.725 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -100.79 -7.26 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 176.096 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.57 22.07 70.78 Favored Glycine 0 C--O 1.239 0.465 0 C-N-CA 121.112 -0.566 . . . . 25.0 111.88 -176.767 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.93 81.41 1.67 Allowed 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.414 0.626 . . . . 25.0 110.561 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -74.32 164.0 27.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.808 -177.156 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.47 126.59 22.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.703 -0.681 . . . . 25.0 110.475 173.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.13 -10.07 65.54 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 119.53 -0.595 . . . . 25.0 114.584 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -70.69 160.07 33.3 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 118.294 1.047 . . . . 25.0 109.665 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.96 141.09 47.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 115.833 -0.621 . . . . 25.0 110.207 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.9 160.49 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.886 -1.153 . . . . 25.0 107.886 177.857 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.57 113.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.292 0.567 . . . . 25.0 109.473 -177.556 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.18 127.48 35.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 178.544 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.26 110.64 12.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.953 -0.467 . . . . 25.0 111.911 -173.225 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 125.415 2.531 . . . . 25.0 110.775 174.961 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 . . . . . 0 C--O 1.234 0.273 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -136.14 160.6 38.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 178.201 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.7 tp -115.26 122.96 47.57 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -177.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -112.03 152.8 27.74 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.333 -0.988 . . . . 25.0 108.333 177.556 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -107.93 134.87 50.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 177.28 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.39 126.41 71.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 -178.567 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -112.15 112.25 23.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -97.63 133.55 42.02 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.743 -0.465 . . . . 25.0 109.743 -177.888 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.06 132.66 70.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -175.422 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -120.87 151.33 39.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 171.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -70.14 -23.55 63.02 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.077 0.465 . . . . 25.0 111.693 -177.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.47 18.67 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.705 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 mt 59.14 29.5 19.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.458 1.103 . . . . 25.0 112.221 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 m -88.81 25.23 1.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.25 -0.886 . . . . 25.0 109.276 175.465 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.38 150.01 43.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.827 -1.079 . . . . 25.0 111.309 -174.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.78 151.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.08 -1.081 . . . . 25.0 108.08 -174.146 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.8 t -128.37 146.23 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 177.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -155.41 174.19 15.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.634 -1.617 . . . . 25.0 106.634 -176.674 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m -129.99 151.88 50.06 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.279 -0.267 . . . . 25.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.4 mt -131.18 141.84 50.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 25.0 111.884 -176.418 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -97.57 115.77 28.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.972 -1.013 . . . . 25.0 108.42 177.792 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.8 163.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -177.345 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -90.18 169.28 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 175.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.24 76.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.233 0.539 . . . . 25.0 111.63 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.26 3.1 53.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.755 -176.716 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -55.18 133.55 49.15 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.134 0.492 . . . . 25.0 111.678 -177.404 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.43 144.45 54.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.008 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -27.12 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 25.0 110.959 172.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -66.95 -44.34 80.82 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 120.895 0.378 . . . . 25.0 110.018 179.395 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.05 -32.41 59.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.732 0.301 . . . . 25.0 110.768 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.04 -45.81 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.707 0.632 . . . . 25.0 112.707 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.31 -28.05 68.38 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.18 -0.608 . . . . 25.0 110.542 -179.34 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.54 66.07 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 176.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -37.92 89.24 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.352 0.596 . . . . 25.0 109.785 176.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 74.5 m -66.4 -37.1 84.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 25.0 110.909 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 178.138 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.6 -45.03 95.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.624 0.602 . . . . 25.0 112.624 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -70.06 -32.97 71.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 25.0 111.786 -178.886 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.0 p -92.2 -15.61 27.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -175.317 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.56 33.11 75.85 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 114.448 0.539 . . . . 25.0 114.448 177.031 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 24.9 pt -110.71 156.23 40.94 Favored Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 -174.556 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -70.4 121.08 7.65 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 115.835 -2.31 . . . . 25.0 110.755 172.419 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.2 -36.8 76.0 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.819 -0.551 . . . . 25.0 112.171 -178.471 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.59 -24.7 67.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -177.283 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.95 15.62 28.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.76 0.314 . . . . 25.0 111.296 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.3 p -132.73 158.06 43.32 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -175.335 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -135.38 151.61 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.423 -0.808 . . . . 25.0 109.48 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -127.9 135.81 61.97 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-O 121.233 0.54 . . . . 25.0 110.396 -175.657 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.3 153.12 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.855 -0.612 . . . . 25.0 110.617 -176.42 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -140.66 137.52 33.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 178.707 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 37.8 23.95 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.389 0.614 . . . . 25.0 110.064 -174.626 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 58.14 22.64 9.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.478 1.288 . . . . 25.0 114.478 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -125.04 145.58 50.79 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 179.043 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.22 146.87 52.37 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 116.951 -1.566 . . . . 25.0 114.798 -175.717 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.6 mt -103.25 96.76 6.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.185 -0.916 . . . . 25.0 108.621 178.789 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 39.2 p -112.3 -43.1 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.596 1.702 . . . . 25.0 115.596 -174.09 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.5 113.72 3.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 -168.173 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -73.82 -7.46 52.3 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 170.156 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -82.45 3.54 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 48.9 mtt85 -128.67 143.64 50.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.484 0.659 . . . . 25.0 112.59 -178.091 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 67.1 p -88.16 169.65 11.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 171.271 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.43 -35.76 81.1 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-O 121.317 0.579 . . . . 25.0 110.862 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.82 69.41 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 121.953 -0.467 . . . . 25.0 111.516 175.626 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.6 t -70.05 -17.62 63.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -95.78 -7.67 36.5 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 175.276 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.55 21.35 62.2 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.196 -0.762 . . . . 25.0 111.196 -175.093 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.55 85.7 0.87 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.331 0.565 . . . . 25.0 109.532 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.15 165.34 19.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.634 -0.712 . . . . 25.0 111.945 -178.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.03 126.8 27.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.906 -0.776 . . . . 25.0 108.906 174.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.74 -12.03 59.36 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.217 -0.902 . . . . 25.0 114.521 -179.063 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.45 150.46 48.9 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 118.42 1.11 . . . . 25.0 111.46 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.01 125.29 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 25.0 110.003 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.6 t -107.07 140.81 23.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 106.386 -1.709 . . . . 25.0 106.386 179.745 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.8 mt -111.95 130.03 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 -178.088 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.14 134.53 55.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 -179.258 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -123.61 127.95 48.99 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 179.54 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.812 0 CA-C-O 123.39 1.567 . . . . 25.0 109.595 176.512 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 122' ' ' ASP . 25.9 p80 . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 106.863 -1.532 . . . . 25.0 106.863 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -130.07 179.95 5.58 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 106.527 -1.656 . . . . 25.0 106.527 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.32 130.38 53.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 117.949 0.341 . . . . 25.0 111.225 -177.766 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.82 156.08 40.11 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 176.195 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.8 m -109.05 142.29 39.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 177.083 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.15 125.83 69.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -106.95 111.55 24.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 175.641 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.45 128.82 44.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.51 124.39 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.76 0.314 . . . . 25.0 110.814 -178.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.531 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 42.3 mtp180 -116.23 146.32 42.44 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 176.904 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -65.1 -14.54 60.76 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.069 0.461 . . . . 25.0 111.647 177.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.38 15.95 3.36 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 124.16 0.984 . . . . 25.0 112.667 -176.704 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.8 mt 56.05 25.71 9.2 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.331 1.052 . . . . 25.0 112.155 -176.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 18.4 m -99.36 25.87 6.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.966 -1.015 . . . . 25.0 109.203 -179.448 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -72.32 145.33 47.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.842 -174.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.19 150.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 -171.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -125.14 143.61 50.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 176.844 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.86 170.84 19.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 -176.633 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.8 m -126.09 149.27 49.02 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 mt -129.41 144.78 51.39 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.982 -176.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -96.19 124.99 40.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 173.66 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.57 155.36 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 -175.182 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 100' ' ' HIS . 2.7 t70 -79.49 165.2 23.27 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.976 -0.69 . . . . 25.0 110.09 178.538 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.84 92.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.153 0.502 . . . . 25.0 109.939 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.38 14.56 25.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.23 0.538 . . . . 25.0 112.045 -176.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.87 128.49 37.13 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.86 152.56 37.18 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -175.263 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.64 -29.59 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.93 -0.481 . . . . 25.0 110.67 176.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -57.62 -48.29 79.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 176.301 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -69.57 -37.69 77.09 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.396 -0.82 . . . . 25.0 111.371 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -66.6 -36.89 83.71 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.117 0.484 . . . . 25.0 110.147 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.9 88.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.601 177.557 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.52 0.676 . . . . 25.0 110.463 178.861 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.54 -37.19 86.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 25.0 111.152 175.305 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.322 -0.622 . . . . 25.0 109.322 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 42.9 tp -60.46 -46.02 91.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 25.0 112.345 -177.67 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -73.81 -40.43 63.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -178.624 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.3 t -85.31 -18.32 34.21 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -173.536 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.05 29.19 74.23 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.369 -0.443 . . . . 25.0 113.888 -179.4 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -129.57 142.48 45.42 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 122.25 -0.559 . . . . 25.0 111.168 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.44 119.26 6.26 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 116.73 -1.713 . . . . 25.0 112.572 177.477 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.87 67.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.38 73.99 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -88.17 13.91 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.039 0.447 . . . . 25.0 110.94 -177.817 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.4 m -137.31 159.2 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -173.592 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 141.85 48.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 175.129 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -117.06 138.51 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -177.018 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.0 p -141.54 144.39 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.412 0.685 . . . . 25.0 109.919 -173.037 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -148.12 137.25 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.971 -1.492 . . . . 25.0 106.971 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.33 42.68 26.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.98 0.419 . . . . 25.0 110.689 -176.904 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 59.88 9.72 1.83 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 -179.03 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -116.93 141.57 28.51 Favored Pre-proline 0 N--CA 1.467 0.406 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.265 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.44 152.05 60.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 116.236 -2.042 . . . . 25.0 113.177 -176.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.5 mt -108.93 49.62 0.81 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.003 -1.11 . . . . 25.0 108.003 177.502 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -94.59 -11.66 29.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.46 -0.791 . . . . 25.0 112.307 -176.136 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.73 85.83 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.734 0.778 . . . . 25.0 108.938 178.626 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -62.71 -12.99 27.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 115.308 1.596 . . . . 25.0 115.308 -172.141 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -85.81 8.54 19.63 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.793 1.405 . . . . 25.0 114.793 -174.643 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -120.49 151.54 39.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.832 -0.542 . . . . 25.0 110.968 -179.056 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.4 p -85.11 163.21 18.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.41 0.444 . . . . 25.0 110.411 177.587 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.06 -32.96 73.66 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 121.515 0.674 . . . . 25.0 112.209 -175.681 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -30.06 70.18 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.545 174.565 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.1 m -68.5 -16.51 63.91 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -100.41 -4.56 28.73 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 177.025 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.08 59.1 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.43 -1.068 . . . . 25.0 110.43 -176.097 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.42 85.41 1.5 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.721 0.772 . . . . 25.0 109.878 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.57 160.86 30.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.625 -1.171 . . . . 25.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.41 128.63 38.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.715 -0.846 . . . . 25.0 108.715 173.791 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.18 -10.54 63.63 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.506 -0.77 . . . . 25.0 114.217 -178.278 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -70.71 153.66 42.59 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 118.357 1.078 . . . . 25.0 109.35 176.842 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.83 137.66 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 25.0 109.77 -178.448 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.24 161.19 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.5 mt -123.93 133.15 70.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 -178.324 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.7 tt -119.65 134.62 55.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 176.38 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -126.16 128.46 47.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.113 0.483 . . . . 25.0 110.68 -179.406 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 125.666 2.65 . . . . 25.0 110.849 177.596 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 p80 . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 104.345 -2.465 . . . . 25.0 104.345 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -123.73 -180.0 4.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -131.68 130.55 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 -177.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -122.95 147.73 46.28 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.518 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 37.9 m -100.27 144.21 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.2 t -125.04 129.28 73.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 179.195 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -113.72 106.89 15.03 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.207 -1.034 . . . . 25.0 108.207 176.68 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 t -96.33 128.08 42.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.63 131.59 70.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.757 0 CA-C-O 121.594 0.711 . . . . 25.0 111.591 -175.042 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -122.62 143.75 49.56 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 173.133 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -66.52 -12.94 60.06 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.376 0.509 . . . . 25.0 112.376 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.02 19.2 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.911 -178.455 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt 54.58 28.78 10.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.677 1.191 . . . . 25.0 112.435 -178.001 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.56 24.88 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.443 174.514 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.15 147.84 46.24 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.415 -174.071 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.81 149.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 107.054 -1.461 . . . . 25.0 107.054 -174.356 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -132.19 144.5 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.306 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -155.38 175.33 14.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 -174.282 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -129.41 154.3 47.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.983 0.356 . . . . 25.0 110.052 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.7 mt -128.67 144.02 51.07 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.003 0.43 . . . . 25.0 111.575 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -90.89 126.82 36.16 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.928 -1.508 . . . . 25.0 106.928 176.362 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.42 161.43 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 -174.622 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -90.92 171.31 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 176.408 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.29 68.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.579 0.704 . . . . 25.0 110.771 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -87.35 1.66 52.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.881 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.51 130.05 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.75 151.92 43.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.618 0.247 . . . . 25.0 111.058 -177.725 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.0 -31.39 72.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.25 0.548 . . . . 25.0 109.961 172.006 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -60.1 -42.17 94.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 25.0 110.523 178.24 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -78.14 -35.23 49.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.823 0.82 . . . . 25.0 110.175 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.98 -45.15 95.94 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.901 -0.499 . . . . 25.0 111.928 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -68.58 -24.97 64.66 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.217 -0.593 . . . . 25.0 112.074 178.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.83 69.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 176.159 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.09 -43.3 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.79 -0.569 . . . . 25.0 111.629 177.005 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -70.92 -25.78 62.91 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.206 -0.998 . . . . 25.0 111.388 -178.422 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.39 -49.73 65.84 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 175.099 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.72 -47.02 87.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.504 -0.771 . . . . 25.0 111.992 -178.452 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -69.45 -38.12 77.65 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -177.169 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.2 t -89.22 -16.06 32.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.654 0.983 . . . . 25.0 113.654 -176.311 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.58 31.74 77.06 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.282 -0.485 . . . . 25.0 113.9 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 pp -124.84 135.18 26.39 Favored Pre-proline 0 N--CA 1.468 0.463 0 O-C-N 122.372 -0.487 . . . . 25.0 110.519 -179.418 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.04 129.7 29.73 Favored 'Trans proline' 0 C--O 1.241 0.634 0 C-N-CA 116.82 -1.653 . . . . 25.0 114.268 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.43 -27.6 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.528 . . . . 25.0 111.743 179.086 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -178.688 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -101.79 9.48 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 -174.454 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 m -136.97 152.49 50.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -173.08 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -116.34 148.32 40.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.113 -0.494 . . . . 25.0 109.785 -178.654 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.467 HG12 HD12 ' A' ' 154' ' ' LEU . 19.1 tt -126.2 136.58 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.304 0.573 . . . . 25.0 110.829 -176.197 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.9 p -141.7 144.79 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-N 115.782 -0.645 . . . . 25.0 109.577 -173.35 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -142.62 138.56 30.8 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 179.028 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.15 39.88 24.54 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.691 0.758 . . . . 25.0 111.433 -178.055 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 57.41 20.95 6.39 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.677 -1.147 . . . . 25.0 113.962 -178.117 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -125.11 143.6 44.7 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 175.572 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.43 146.33 49.92 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 116.582 -1.812 . . . . 25.0 113.015 -176.191 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.467 HD12 HG12 ' A' ' 147' ' ' ILE . 48.1 mt -96.49 64.13 2.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 177.015 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.6 p -96.59 -22.57 16.97 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 115.557 1.688 . . . . 25.0 115.557 -173.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.73 76.16 10.24 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 -177.64 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.21 -11.3 20.09 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 115.159 1.54 . . . . 25.0 115.159 -171.293 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.27 -7.19 58.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -94.59 152.84 18.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.956 -0.465 . . . . 25.0 111.295 -178.722 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 80.7 p -79.98 161.58 25.39 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 174.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 45.6 mt -65.15 -34.9 79.5 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 121.123 0.487 . . . . 25.0 110.983 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.43 68.74 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.375 175.225 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.1 m -70.32 -16.71 63.03 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -99.08 -3.63 34.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.951 0.405 . . . . 25.0 110.018 176.338 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 75.9 25.48 66.86 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.511 -1.036 . . . . 25.0 110.511 -175.046 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.2 86.28 3.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -81.6 166.81 19.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.16 -0.927 . . . . 25.0 110.506 179.015 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.96 127.9 34.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.829 -0.623 . . . . 25.0 110.711 178.392 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.4 -14.57 62.09 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.331 -0.85 . . . . 25.0 113.059 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -67.43 148.72 51.2 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 118.036 0.918 . . . . 25.0 109.383 178.121 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -120.05 134.92 62.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.836 -175.487 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 14.9 m -110.51 159.01 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.4 mt -118.38 131.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -178.709 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.6 tt -117.07 132.53 56.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.23 125.44 41.0 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.091 -0.381 . . . . 25.0 110.245 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 124.193 1.949 . . . . 25.0 111.036 177.188 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 106.109 -1.811 . . . . 25.0 106.109 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -129.76 172.08 12.01 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -121.86 134.03 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.7 mt -122.37 152.0 40.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.767 -1.197 . . . . 25.0 107.767 176.391 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 m -103.37 135.82 44.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 176.559 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.36 122.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -107.78 113.0 25.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.506 -0.77 . . . . 25.0 109.093 -179.096 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.6 125.36 42.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.96 128.44 74.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-O 121.231 0.539 . . . . 25.0 110.842 -176.76 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -114.7 147.12 40.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 105.653 -1.98 . . . . 25.0 105.653 172.248 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -59.15 -29.21 67.26 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.124 0.786 . . . . 25.0 113.124 -175.348 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.94 22.24 1.74 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.668 -0.697 . . . . 25.0 112.714 -176.349 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt 55.33 34.09 22.13 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.463 1.105 . . . . 25.0 112.108 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 m -92.8 26.08 2.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.381 -1.281 . . . . 25.0 108.904 176.782 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.51 151.98 42.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.44 -1.254 . . . . 25.0 112.843 -170.377 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -149.55 150.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -176.144 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 t -128.42 144.18 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 177.081 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -153.04 174.26 14.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.297 -1.742 . . . . 25.0 106.297 -176.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -128.8 150.8 50.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.39 143.68 50.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.131 -0.486 . . . . 25.0 110.417 -178.179 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -103.95 125.05 50.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 178.407 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.85 164.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 -172.488 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -80.3 159.04 25.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 174.666 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.72 88.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 176.388 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -93.15 15.51 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.608 0.718 . . . . 25.0 112.306 -176.943 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.54 136.68 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 178.189 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.25 142.8 56.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.147 -0.345 . . . . 25.0 110.584 -178.724 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.8 -29.79 70.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.095 -1.076 . . . . 25.0 108.095 172.11 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.19 -48.32 79.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.489 175.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.23 -31.42 58.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.877 -0.329 . . . . 25.0 110.366 178.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.68 -42.87 99.85 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -65.67 -31.83 73.06 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 119.843 -0.743 . . . . 25.0 110.659 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.0 -37.06 67.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.435 0.636 . . . . 25.0 109.912 177.437 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.84 -37.16 86.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.148 0.499 . . . . 25.0 110.117 178.472 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.27 -35.23 75.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.823 0.344 . . . . 25.0 110.628 176.311 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -37.26 86.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.954 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.96 -49.81 73.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.395 . . . . 25.0 110.579 178.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.29 -40.12 81.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.085 0.469 . . . . 25.0 112.146 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.0 t -84.89 -15.57 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.325 0.861 . . . . 25.0 113.325 -174.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.21 30.49 67.27 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.153 -0.546 . . . . 25.0 114.289 176.321 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.8 pt -135.44 147.05 60.27 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 -178.858 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.94 135.91 46.27 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 116.722 -1.719 . . . . 25.0 114.519 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.53 -29.26 70.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.367 0.603 . . . . 25.0 109.686 175.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.22 65.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.276 -179.343 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -102.64 11.36 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.893 0.331 . . . . 25.0 111.893 -176.158 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.5 p -130.25 157.79 41.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.613 0.721 . . . . 25.0 112.0 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -117.24 131.09 56.91 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.57 129.46 68.11 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.612 -0.722 . . . . 25.0 109.506 -176.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 66.3 t -132.76 138.71 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.811 0.844 . . . . 25.0 110.614 -169.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -139.38 140.11 37.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.128 -1.064 . . . . 25.0 108.128 176.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 42.95 24.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.219 0.608 . . . . 25.0 111.502 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 60.77 18.71 8.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.761 1.763 . . . . 25.0 115.761 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -130.25 140.09 37.61 Favored Pre-proline 0 N--CA 1.473 0.72 0 O-C-N 121.14 -0.975 . . . . 25.0 109.436 174.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.05 146.16 57.58 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 116.071 -2.152 . . . . 25.0 110.976 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.63 74.08 9.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 37.1 p -72.29 -35.69 68.75 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -174.274 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -82.69 98.79 9.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.393 0.616 . . . . 25.0 109.906 -173.563 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -70.85 -24.54 62.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.744 -178.129 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -73.0 -18.9 61.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.68 148.05 38.97 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -84.27 168.32 15.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 170.868 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.25 -35.37 80.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.918 -0.489 . . . . 25.0 110.8 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.25 71.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.826 175.117 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.9 m -70.69 -16.47 62.8 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.089 0.403 . . . . 25.0 112.089 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.16 -9.38 27.97 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 174.448 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.56 26.62 56.44 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.967 -0.853 . . . . 25.0 110.967 -175.208 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.69 82.05 2.66 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 121.695 0.759 . . . . 25.0 110.432 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -69.44 160.55 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.738 -1.119 . . . . 25.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -57.42 129.23 40.87 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.071 -0.968 . . . . 25.0 110.116 174.736 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.72 -9.89 73.04 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.045 -0.98 . . . . 25.0 113.702 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 162.26 28.68 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 118.336 1.068 . . . . 25.0 111.67 -179.462 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.37 130.63 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 -171.454 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.9 t -107.48 137.49 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 177.103 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.8 mt -109.26 126.73 66.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 179.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.7 tt -118.15 133.34 55.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.151 -1.425 . . . . 25.0 107.151 -178.73 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -119.25 132.56 55.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.196 0.522 . . . . 25.0 111.805 -178.7 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 114.881 -1.054 . . . . 25.0 108.655 173.573 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.49 0 N-CA-C 102.308 -3.219 . . . . 25.0 102.308 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -142.72 168.93 18.55 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -176.513 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.05 130.64 53.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -178.331 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -121.06 148.77 43.7 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 177.791 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -99.53 143.38 29.83 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.836 -1.172 . . . . 25.0 107.836 178.266 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -125.11 129.46 73.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -119.49 110.85 17.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.3 m -97.56 124.22 41.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -114.18 132.74 62.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.066 0.46 . . . . 25.0 111.722 -174.317 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -116.86 145.63 43.44 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 105.612 -1.996 . . . . 25.0 105.612 170.209 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.89 -9.15 57.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.149 0.5 . . . . 25.0 110.581 176.381 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -99.7 25.23 7.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.952 -173.4 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.82 38.57 26.98 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 25.0 113.539 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.65 23.53 14.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.224 -178.716 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -72.18 153.21 41.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.797 0.808 . . . . 25.0 113.153 -171.157 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.8 152.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.633 -1.617 . . . . 25.0 106.633 -177.726 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -139.19 148.16 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.641 -1.244 . . . . 25.0 107.641 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -157.73 177.64 11.15 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.872 -1.899 . . . . 25.0 105.872 -176.389 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.3 m -129.39 151.07 50.43 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 179.109 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.1 mt -124.81 146.44 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.405 0.441 . . . . 25.0 109.996 -177.64 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.51 124.14 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 178.408 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.1 m -144.19 165.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.147 -0.479 . . . . 25.0 111.01 -171.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.546 -0.909 . . . . 25.0 108.546 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.05 80.59 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.87 -0.519 . . . . 25.0 109.986 175.858 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -94.33 13.46 23.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.507 0.67 . . . . 25.0 112.076 -176.676 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -63.73 129.55 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 178.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.25 148.15 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.655 -177.744 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 154' ' ' LEU . 1.1 mm? -65.2 -31.36 72.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.643 -0.423 . . . . 25.0 110.621 175.387 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.23 -48.29 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 177.509 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.37 -31.56 65.69 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.44 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.1 -43.47 95.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.78 -0.575 . . . . 25.0 112.089 177.146 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -68.09 -36.17 79.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.188 0.518 . . . . 25.0 109.73 179.181 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.6 94.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.995 -1.002 . . . . 25.0 110.573 176.122 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.88 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.554 0.692 . . . . 25.0 109.726 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 45.9 t -62.57 -42.84 99.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.927 176.051 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.92 -42.1 98.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.32 -48.17 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.452 . . . . 25.0 111.987 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -30.52 59.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -176.825 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.0 p -87.42 -26.23 23.39 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -176.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.68 10.7 83.17 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.767 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.32 141.02 26.53 Favored Pre-proline 0 N--CA 1.47 0.541 0 CA-C-N 117.746 0.773 . . . . 25.0 109.233 178.816 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.5 127.74 22.69 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 115.289 1.226 . . . . 25.0 115.289 -175.299 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.63 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 174.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.07 68.99 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.015 -0.539 . . . . 25.0 111.635 178.803 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -101.23 12.23 37.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.539 -0.3 . . . . 25.0 110.514 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.1 m -129.68 160.18 34.16 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -171.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -133.49 153.52 51.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.8 tt -128.06 137.8 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-O 120.971 0.415 . . . . 25.0 110.376 -174.035 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.77 146.12 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.278 0.631 . . . . 25.0 109.595 -173.453 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -147.51 139.89 24.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 179.457 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.41 41.61 25.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.264 0.554 . . . . 25.0 110.655 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 60.16 13.96 4.2 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.967 1.469 . . . . 25.0 114.967 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -126.62 143.74 47.38 Favored Pre-proline 0 N--CA 1.472 0.633 0 O-C-N 121.78 -0.575 . . . . 25.0 110.25 178.199 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.09 152.28 45.44 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 115.802 -2.332 . . . . 25.0 112.967 -176.759 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 127' ' ' LEU . 53.6 mt -93.48 61.28 3.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 176.823 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -39.18 70.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -172.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -79.74 95.76 6.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 -175.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -70.52 -20.08 62.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.194 -0.912 . . . . 25.0 112.855 -174.097 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -83.01 -4.52 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 -177.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.21 149.22 25.24 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.3 m -79.58 164.83 23.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.77 -0.456 . . . . 25.0 109.77 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.95 -38.96 87.73 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.309 0.576 . . . . 25.0 111.032 177.176 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.68 -30.13 67.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.884 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.5 t -70.97 -17.41 62.66 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.201 0.445 . . . . 25.0 112.201 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -100.28 -5.41 27.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 175.641 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.24 17.43 71.71 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.504 -0.638 . . . . 25.0 111.504 -176.568 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 18.4 mt -74.21 84.18 1.86 Allowed 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.203 0.525 . . . . 25.0 110.169 -178.169 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.31 170.46 10.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.25 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.23 125.85 22.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 25.0 110.397 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 106.31 -17.71 40.01 Favored Glycine 0 CA--C 1.517 0.192 0 CA-C-N 115.171 -0.922 . . . . 25.0 113.563 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.07 156.79 38.06 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 117.754 0.777 . . . . 25.0 110.44 177.341 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.82 135.47 62.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.447 -0.797 . . . . 25.0 109.634 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.96 158.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 107.601 -1.259 . . . . 25.0 107.601 177.882 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.46 129.58 75.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.396 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.41 139.66 49.31 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.806 -1.553 . . . . 25.0 106.806 177.324 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -122.15 127.25 49.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 176.258 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 124.114 1.912 . . . . 25.0 109.183 173.578 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 105.71 -1.959 . . . . 25.0 105.71 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -138.62 159.57 41.77 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 105.909 -1.885 . . . . 25.0 105.909 177.286 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -114.61 129.27 56.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.656 -0.247 . . . . 25.0 110.62 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.29 152.58 41.24 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 177.253 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.8 m -102.2 142.56 33.26 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.794 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.1 127.6 72.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.69 -1.226 . . . . 25.0 107.69 176.907 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -114.98 115.0 26.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 179.118 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.9 t -104.12 116.59 32.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.864 0.364 . . . . 25.0 111.089 -178.649 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.0 t -98.57 128.55 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -109.77 150.59 28.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.863 -1.903 . . . . 25.0 105.863 171.053 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -53.01 -40.52 63.91 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -178.902 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.28 22.8 1.41 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 -173.649 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.7 mt 60.37 26.24 15.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.35 1.071 . . . . 25.0 110.836 -179.412 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -85.53 25.95 0.99 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.273 -1.33 . . . . 25.0 108.547 175.449 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -72.39 155.85 39.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.798 -171.086 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.28 156.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.143 -1.429 . . . . 25.0 107.143 -174.776 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -138.78 149.66 45.25 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -156.33 175.66 13.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.366 -2.087 . . . . 25.0 105.366 -176.085 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.2 m -125.87 151.71 46.49 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 39.0 mt -123.55 139.92 53.52 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.177 0.513 . . . . 25.0 110.433 -178.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -104.1 112.91 26.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.2 m -137.12 166.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.486 -0.325 . . . . 25.0 110.264 -172.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -81.31 159.69 24.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 175.277 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.83 88.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 176.662 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -92.28 13.68 18.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.384 0.612 . . . . 25.0 112.452 -176.815 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -63.05 134.12 55.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.204 -1.036 . . . . 25.0 108.204 177.833 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.79 147.67 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.223 -0.298 . . . . 25.0 110.98 -178.119 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -62.51 -37.41 85.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 172.028 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -56.17 -43.56 78.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.159 0.504 . . . . 25.0 111.357 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.95 -33.21 51.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.066 -179.16 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.47 -44.89 89.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 179.33 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -27.89 69.16 Favored 'General case' 0 C--O 1.216 -0.698 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.738 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -40.3 62.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.48 0.657 . . . . 25.0 109.673 175.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.57 -39.66 94.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.141 -177.24 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.2 p -73.66 -25.33 60.21 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.718 -0.614 . . . . 25.0 111.265 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -35.52 77.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 178.668 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.53 -47.57 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 25.0 111.465 177.608 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.59 -37.93 80.25 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.184 0.516 . . . . 25.0 111.831 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.1 t -78.83 -24.26 44.57 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.054 0.454 . . . . 25.0 111.308 -177.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.67 60.49 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.104 -0.569 . . . . 25.0 112.711 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -134.48 148.15 66.36 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -67.13 135.78 38.5 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 115.541 -2.506 . . . . 25.0 111.397 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -24.71 67.71 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.143 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.415 0.524 . . . . 25.0 112.415 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -100.95 12.81 36.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.401 0.62 . . . . 25.0 109.868 -179.43 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.4 t -139.72 167.73 21.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.076 -0.511 . . . . 25.0 109.803 -173.442 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -121.28 136.4 54.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 175.458 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.3 tt -115.67 132.38 65.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -176.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.3 153.04 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.015 -176.327 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -139.92 135.1 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 177.432 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.11 40.54 28.82 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.528 0.518 . . . . 25.0 110.059 -172.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 58.18 14.57 2.84 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.062 1.504 . . . . 25.0 115.062 -178.438 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -113.32 143.18 28.8 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 179.735 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.97 145.88 63.25 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 116.172 -2.085 . . . . 25.0 113.006 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.524 ' HB3' HD11 ' A' ' 127' ' ' LEU . 17.3 mt -95.08 111.46 23.27 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 178.193 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 73.3 p -122.68 -31.74 3.67 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.136 1.532 . . . . 25.0 115.136 -172.907 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -85.27 77.99 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -176.841 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -61.42 -22.7 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 -171.512 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.44 -4.04 49.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.638 0.606 . . . . 25.0 112.638 -179.064 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.52 151.49 22.49 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 178.777 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 70.4 p -83.19 166.46 18.59 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 175.563 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.33 -31.21 71.33 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.313 0.578 . . . . 25.0 111.094 -178.792 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.89 -30.15 70.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.625 174.389 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.1 m -71.25 -16.65 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.624 0.231 . . . . 25.0 111.624 178.802 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -98.9 -2.7 36.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 176.134 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 72.51 27.78 68.87 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.954 -0.858 . . . . 25.0 110.954 -177.432 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.38 80.32 2.45 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 121.782 0.801 . . . . 25.0 110.662 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -72.33 162.47 29.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.652 -1.158 . . . . 25.0 112.389 -179.459 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.49 132.9 40.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.753 0.787 . . . . 25.0 110.323 178.502 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 89.11 -1.59 83.0 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.523 -0.762 . . . . 25.0 113.286 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.51 168.56 19.8 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.564 1.182 . . . . 25.0 110.559 176.028 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.86 137.09 55.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 122.5 1.143 . . . . 25.0 112.848 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.54 142.15 27.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.436 -1.691 . . . . 25.0 106.436 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 91.7 mt -116.49 129.64 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.192 -0.669 . . . . 25.0 109.192 -176.261 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 55.6 tp -114.82 135.89 53.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 -179.475 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -132.49 106.59 7.94 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 124.767 2.222 . . . . 25.0 110.345 173.813 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.7 p80 . . . . . 0 CA--C 1.521 -0.153 0 N-CA-C 105.836 -1.912 . . . . 25.0 105.836 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -144.57 144.87 31.52 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.449 0.642 . . . . 25.0 111.766 178.892 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 -177.683 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -123.63 154.89 38.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -178.864 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -103.73 139.95 38.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.06 123.09 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.234 -1.024 . . . . 25.0 108.234 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -106.61 116.45 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 177.162 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.5 124.28 41.67 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.1 128.11 70.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.627 -0.715 . . . . 25.0 109.491 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.521 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 54.5 mtp180 -124.06 143.57 50.36 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 177.52 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -65.82 -9.26 27.21 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.066 177.75 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.5 16.0 19.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.346 0.659 . . . . 25.0 111.502 -174.281 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.9 mt 56.77 35.66 26.56 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.724 1.249 . . . . 25.0 110.897 -177.263 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.8 m -106.0 26.04 10.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 113.614 -1.63 . . . . 25.0 111.831 -176.459 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 5.6 mp0 -72.11 147.96 46.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.532 0.682 . . . . 25.0 111.962 -169.118 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -151.88 150.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -177.279 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.6 t -129.11 144.71 51.29 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 177.887 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -153.99 171.2 19.41 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 -176.931 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.8 p -119.21 146.92 44.79 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 179.455 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -121.74 142.84 49.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 25.0 110.185 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -102.23 115.66 31.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.983 -1.008 . . . . 25.0 108.609 -178.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.75 168.14 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 25.0 111.449 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -90.56 163.15 14.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 172.35 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.48 94.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.631 0.253 . . . . 25.0 111.501 178.188 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.8 14.43 19.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.414 0.626 . . . . 25.0 112.321 -175.115 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.56 128.88 38.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 177.479 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.76 148.67 46.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.927 0.394 . . . . 25.0 111.942 -176.171 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.44 -30.04 71.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 173.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -59.27 -42.58 91.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.999 -0.546 . . . . 25.0 110.91 176.143 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -77.87 -33.85 51.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 -179.772 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.21 -40.26 96.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -66.19 -31.0 71.57 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.757 -0.777 . . . . 25.0 110.811 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.82 64.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.598 . . . . 25.0 109.676 176.498 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.75 -43.36 93.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.004 -179.559 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.9 p -74.86 -25.49 59.01 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.265 -0.574 . . . . 25.0 111.173 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.1 -44.17 85.13 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 175.747 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.25 -46.8 85.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.855 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.09 -36.37 72.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 25.0 112.413 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.6 t -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.998 0.428 . . . . 25.0 111.824 -177.578 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.56 13.18 82.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 121.093 -0.575 . . . . 25.0 113.154 179.242 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.8 pp -128.71 140.49 38.66 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 122.465 -0.432 . . . . 25.0 110.273 -179.662 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.29 135.64 47.57 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 117.404 -1.264 . . . . 25.0 115.267 -176.606 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -27.16 68.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.673 -0.694 . . . . 25.0 109.574 173.853 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.98 -29.35 66.42 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.002 -0.545 . . . . 25.0 112.334 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -95.88 15.08 21.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.725 0.774 . . . . 25.0 110.159 -177.166 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 70.5 p -146.71 -179.29 6.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.546 -174.824 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -129.32 148.01 51.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.448 -1.316 . . . . 25.0 107.448 178.46 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.4 tt -124.62 127.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 -176.838 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.18 133.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.131 -169.094 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -129.88 136.2 49.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 175.806 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 44.44 25.89 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.455 0.472 . . . . 25.0 111.015 -178.589 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 63.0 8.46 3.21 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.737 1.755 . . . . 25.0 115.737 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.22 139.01 26.94 Favored Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 121.582 -0.698 . . . . 25.0 110.173 178.613 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.37 149.27 56.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 116.284 -2.011 . . . . 25.0 111.757 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.92 98.01 10.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.9 p -104.26 -19.99 13.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.904 1.076 . . . . 25.0 113.904 -175.497 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.87 81.91 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.289 0.566 . . . . 25.0 109.721 -176.038 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -53.24 -38.29 62.85 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.553 1.316 . . . . 25.0 114.553 -175.15 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -82.11 -0.59 45.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 -176.455 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -77.41 145.32 37.26 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 105.832 -1.914 . . . . 25.0 105.832 172.584 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 58.2 p -79.73 163.72 24.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.379 -1.341 . . . . 25.0 107.379 171.826 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.17 -33.54 76.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.979 0.419 . . . . 25.0 110.106 -179.327 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.2 71.23 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.005 -0.434 . . . . 25.0 110.786 176.168 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.1 m -70.89 -16.47 62.69 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.709 0.29 . . . . 25.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -97.39 -5.92 35.21 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 175.672 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.99 20.87 56.95 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-O 119.496 -0.614 . . . . 25.0 113.813 -178.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.96 84.89 0.97 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 121.724 0.773 . . . . 25.0 110.258 178.482 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -71.73 158.18 36.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.905 -1.043 . . . . 25.0 108.222 173.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -57.84 132.62 53.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 175.418 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.31 -13.33 64.63 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.462 -0.79 . . . . 25.0 113.912 -178.186 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.03 157.24 35.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.166 0.983 . . . . 25.0 110.311 177.434 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.11 136.54 60.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.979 0.895 . . . . 25.0 111.925 -177.078 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.72 139.75 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.22 -1.4 . . . . 25.0 107.22 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.08 121.57 61.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -179.71 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 tt -104.42 131.73 51.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 105.292 -2.114 . . . . 25.0 105.292 179.232 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -129.72 121.52 27.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.701 0.682 . . . . 25.0 112.636 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 124.704 2.193 . . . . 25.0 111.264 176.861 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -139.14 161.79 36.54 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -110.86 133.0 53.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 -178.478 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.18 150.23 48.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 177.575 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.4 m -96.58 140.43 31.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.8 t -125.15 124.65 67.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 178.317 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -112.75 111.83 22.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -97.49 130.29 44.59 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -178.833 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.7 t -118.94 133.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 -117.41 148.99 41.27 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.344 -1.725 . . . . 25.0 106.344 171.865 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.92 -31.42 70.94 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.671 0.272 . . . . 25.0 111.338 -179.479 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.08 27.6 0.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -177.319 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.8 mt 56.87 26.32 11.49 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.545 1.138 . . . . 25.0 113.708 177.621 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.47 25.83 1.36 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.798 0.839 . . . . 25.0 111.509 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -72.46 150.4 43.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.172 -170.517 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.91 157.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 -174.156 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.2 t -138.26 147.55 43.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 177.163 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -159.34 -178.47 7.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 -177.148 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -130.19 151.73 50.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.872 -0.418 . . . . 25.0 109.872 178.325 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.08 147.62 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.353 0.408 . . . . 25.0 110.094 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -102.62 127.6 49.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 176.082 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.24 166.9 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.285 -174.889 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.04 163.05 22.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 172.384 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.71 0.29 . . . . 25.0 110.816 177.398 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -96.89 19.58 12.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.683 0.754 . . . . 25.0 112.414 -174.201 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.41 127.6 32.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 177.038 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.76 152.19 45.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.656 0.265 . . . . 25.0 111.198 -176.831 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.428 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.6 mm? -68.28 -27.04 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.188 -0.32 . . . . 25.0 111.16 175.018 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 128' ' ' HIS . . . . . 0.407 ' HB2' HD22 ' A' ' 157' ' ' ASN . 83.6 t60 -65.6 -45.42 83.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 175.572 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.01 -41.07 78.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.655 0.74 . . . . 25.0 109.36 178.831 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.58 -42.81 97.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.526 0.936 . . . . 25.0 113.526 -178.193 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.428 HH21 ' HB3' ' A' ' 127' ' ' LEU . 20.7 ptp180 -69.95 -27.89 65.11 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 119.734 -0.787 . . . . 25.0 111.166 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.13 66.19 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 175.406 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.8 -40.15 95.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.62 0.724 . . . . 25.0 109.351 177.497 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.37 -42.35 96.22 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.255 176.339 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.13 -41.02 95.96 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 122.447 0.299 . . . . 25.0 110.573 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.89 -47.82 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 25.0 110.944 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -69.39 -41.51 76.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.412 0.625 . . . . 25.0 112.059 -177.029 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.8 t -83.28 -20.34 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.928 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.49 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.02 179.508 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.2 pp -126.87 140.69 38.36 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 122.592 -0.358 . . . . 25.0 110.469 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.14 125.91 16.79 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 117.319 -1.321 . . . . 25.0 113.744 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.59 69.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 25.0 110.09 176.377 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.9 -25.53 68.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.884 -0.598 . . . . 25.0 112.371 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -99.31 19.37 15.58 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.182 0.515 . . . . 25.0 110.007 -178.075 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.2 t -136.73 161.08 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 116.027 1.862 . . . . 25.0 116.027 -171.29 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.98 154.33 44.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.091 -1.448 . . . . 25.0 107.091 172.495 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.8 tt -128.11 133.92 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 109.781 -0.452 . . . . 25.0 109.781 -174.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.34 138.92 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.819 0.848 . . . . 25.0 111.2 -169.731 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -135.54 136.77 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.419 -1.326 . . . . 25.0 107.419 175.745 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.28 43.87 23.18 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.48 0.487 . . . . 25.0 111.536 -178.693 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 61.09 13.54 4.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.764 1.765 . . . . 25.0 115.764 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.0 134.65 24.41 Favored Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 121.632 -0.668 . . . . 25.0 109.725 175.916 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.26 145.74 55.1 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 116.316 -1.989 . . . . 25.0 111.608 179.563 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -90.29 73.83 7.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 28.7 p -68.84 -35.34 76.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.178 -0.919 . . . . 25.0 112.611 -174.466 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.28 92.21 8.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 -175.567 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.407 HD22 ' HB2' ' A' ' 128' ' ' HIS . 14.5 p-10 -67.82 -24.2 65.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.519 -0.764 . . . . 25.0 112.898 -175.231 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -81.17 -5.19 57.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.261 0.467 . . . . 25.0 112.261 -177.786 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -88.62 148.59 23.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.2 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 89.3 p -86.65 167.73 14.25 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -178.89 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.96 -41.22 99.45 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 116.198 -0.455 . . . . 25.0 111.504 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.37 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.085 -0.384 . . . . 25.0 110.934 176.484 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 66.8 m -68.53 -17.97 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.224 -0.298 . . . . 25.0 111.693 178.092 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.94 -4.9 25.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 25.0 110.204 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.6 25.13 51.59 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-O 119.679 -0.511 . . . . 25.0 114.183 -179.232 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.9 84.61 0.95 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.129 0.965 . . . . 25.0 111.174 178.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -67.37 156.21 37.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.322 -0.853 . . . . 25.0 111.641 176.706 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.26 130.29 34.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 25.0 109.761 173.957 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.65 -0.65 74.17 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.89 -0.596 . . . . 25.0 113.848 179.501 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 174.72 10.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.328 1.064 . . . . 25.0 110.55 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.13 139.56 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.975 0.893 . . . . 25.0 113.238 -173.764 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.2 t -114.19 138.03 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 107.583 -1.265 . . . . 25.0 107.583 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.1 mp -109.49 123.52 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 -178.553 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.8 tt -109.89 137.71 47.29 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -126.98 111.48 14.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.253 0.549 . . . . 25.0 110.44 -179.638 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 123.68 1.705 . . . . 25.0 111.366 -177.055 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 p80 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 104.202 -2.518 . . . . 25.0 104.202 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -139.66 168.56 19.55 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.164 -1.05 . . . . 25.0 108.164 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 tp -126.11 130.77 51.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.299 -0.26 . . . . 25.0 110.299 -177.224 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.95 140.94 51.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 177.169 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.4 m -93.35 138.01 32.11 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 177.485 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.3 t -125.17 125.11 68.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 179.443 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -110.52 117.18 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 177.864 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.7 t -100.99 126.42 47.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 25.0 110.222 179.337 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.5 t -112.05 128.24 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.989 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -117.96 144.82 45.18 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.976 -1.861 . . . . 25.0 105.976 168.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -66.97 -12.22 59.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.194 0.521 . . . . 25.0 110.911 176.005 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.48 16.52 8.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.849 -1.069 . . . . 25.0 111.581 -176.028 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.8 mt 56.19 30.48 16.61 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.266 1.027 . . . . 25.0 113.064 179.311 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 26.19 5.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.491 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -72.55 145.57 47.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.281 -0.872 . . . . 25.0 109.385 -166.294 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -149.97 144.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.792 -1.094 . . . . 25.0 109.541 -172.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.1 t -124.77 143.17 50.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 177.799 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.87 174.0 14.64 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.485 -2.043 . . . . 25.0 105.485 -177.901 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -135.35 142.45 45.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.79 143.36 45.21 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.604 0.565 . . . . 25.0 110.905 -176.675 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -102.27 120.38 40.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 177.111 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.88 167.33 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.126 -0.488 . . . . 25.0 109.901 -171.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.34 162.03 22.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 174.73 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 176.014 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.79 17.28 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.605 0.716 . . . . 25.0 112.009 -176.749 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -65.81 131.73 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 177.51 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.37 149.01 50.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.033 0.133 . . . . 25.0 110.662 -176.03 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.542 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.3 mm? -68.5 -27.05 65.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.766 -0.584 . . . . 25.0 110.573 174.752 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -66.47 -42.51 87.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.427 0.632 . . . . 25.0 109.498 176.76 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -41.1 68.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.714 0.769 . . . . 25.0 109.484 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.64 -46.49 88.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.542 HH21 ' HB3' ' A' ' 127' ' ' LEU . 19.7 ptp180 -68.4 -27.9 66.63 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 119.964 -0.694 . . . . 25.0 111.22 -179.338 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.08 78.12 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 175.48 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.14 -38.65 91.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.797 -0.446 . . . . 25.0 109.797 176.726 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.56 -37.44 87.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.214 -0.304 . . . . 25.0 110.998 177.592 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.03 -42.44 97.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.5 -44.49 96.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.737 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.45 -36.17 73.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -178.83 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.2 p -87.54 -20.69 26.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -175.091 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.05 30.18 76.45 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.064 -0.589 . . . . 25.0 114.556 176.27 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 pp -124.74 146.27 52.37 Favored Pre-proline 0 N--CA 1.47 0.526 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -66.13 124.79 13.07 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 116.082 -2.145 . . . . 25.0 112.053 178.073 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -26.47 68.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 25.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.16 -22.87 67.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -99.62 10.14 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 25.0 110.738 -178.796 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 p -130.77 171.47 13.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -170.387 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.1 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 174.314 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.08 136.17 60.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 -176.507 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.4 m -133.78 152.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.178 0.513 . . . . 25.0 111.377 -176.875 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -139.21 137.36 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.056 -2.572 . . . . 25.0 104.056 174.892 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 35.22 17.25 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.274 0.559 . . . . 25.0 110.345 -173.643 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 58.91 20.0 7.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -120.2 142.17 33.12 Favored Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 176.94 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -72.29 144.9 42.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 116.704 -1.731 . . . . 25.0 114.33 -175.768 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.85 67.32 8.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 177.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 40.2 p -70.83 -28.49 64.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.812 -176.574 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -85.37 112.98 21.33 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 -178.452 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -94.77 -16.83 22.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.85 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.82 -32.35 35.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.071 0.463 . . . . 25.0 109.818 -176.856 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -56.26 149.83 15.58 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.756 175.686 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -89.18 170.2 10.81 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 170.178 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.21 -33.74 76.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.229 0.537 . . . . 25.0 110.132 -179.435 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.88 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.477 176.902 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 14.2 m -68.65 -16.51 63.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 179.002 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -102.03 -6.28 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 25.0 110.439 175.656 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.36 24.91 71.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -174.882 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.84 80.41 1.61 Allowed 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.638 0.733 . . . . 25.0 109.724 -178.754 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -76.15 165.81 24.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.035 -0.984 . . . . 25.0 112.033 -177.779 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.47 128.48 34.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.346 -0.843 . . . . 25.0 108.931 172.07 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.19 -11.6 58.58 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.449 -0.796 . . . . 25.0 113.579 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.18 159.54 31.47 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 118.067 0.933 . . . . 25.0 109.901 176.788 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -126.28 137.52 57.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.97 0.891 . . . . 25.0 110.71 -177.582 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.43 144.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -177.278 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.9 mt -119.52 129.23 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -177.684 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.6 tt -117.98 135.42 54.16 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.493 -1.669 . . . . 25.0 106.493 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -131.13 128.55 40.35 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.574 0.625 . . . . 25.0 112.144 -179.06 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 125.854 2.74 . . . . 25.0 111.706 177.534 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.51 165.78 25.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 179.399 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -117.5 137.76 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.237 -0.282 . . . . 25.0 110.237 -174.634 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.19 153.1 40.53 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 174.114 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -108.45 142.6 38.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.273 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.58 131.93 72.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.553 -1.277 . . . . 25.0 107.553 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -116.23 116.49 27.88 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 175.954 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.8 t -97.52 125.05 41.99 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -179.434 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.09 130.99 63.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.743 0.783 . . . . 25.0 111.788 -176.816 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -124.12 141.11 52.33 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 105.154 -2.165 . . . . 25.0 105.154 172.608 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -68.03 -13.79 62.47 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.124 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -95.63 22.95 6.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.567 . . . . 25.0 110.277 -177.877 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt 54.97 29.59 12.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.556 1.143 . . . . 25.0 113.248 -179.561 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.59 25.84 1.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.989 -1.005 . . . . 25.0 110.267 176.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.55 149.98 43.56 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.71 -1.132 . . . . 25.0 111.683 -167.878 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.58 154.81 8.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 -177.798 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.22 148.36 46.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 174.791 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -156.23 172.32 18.67 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 -176.63 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.0 m -129.69 149.79 51.29 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.56 146.52 52.09 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.908 -178.264 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -102.91 125.36 49.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 178.044 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.0 m -138.93 171.35 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.236 -1.024 . . . . 25.0 108.236 -172.813 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.21 164.45 13.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.916 -1.142 . . . . 25.0 107.916 175.46 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.44 74.12 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 176.249 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -91.62 19.38 6.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 25.0 112.053 -178.219 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -73.56 136.66 44.04 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -64.27 141.93 58.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.076 -0.342 . . . . 25.0 110.076 179.23 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.13 -33.14 75.09 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 174.379 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.9 -43.23 98.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.04 0.447 . . . . 25.0 111.141 176.718 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -72.19 -34.03 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 -179.745 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -64.18 -42.84 96.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.997 0.369 . . . . 25.0 111.997 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -66.73 -31.44 72.1 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.69 -0.804 . . . . 25.0 110.704 179.169 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.4 65.28 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.276 0.56 . . . . 25.0 110.261 178.098 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.37 -38.45 91.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.43 0.633 . . . . 25.0 109.46 178.349 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.49 -43.03 98.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.647 176.078 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.44 -41.72 98.94 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.486 0.315 . . . . 25.0 110.332 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.96 -45.29 89.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.601 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -69.05 -39.66 79.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.363 0.601 . . . . 25.0 111.786 -177.507 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.2 p -83.99 -19.46 34.5 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -176.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.94 79.21 Favored Glycine 0 CA--C 1.517 0.157 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.743 176.217 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -127.49 142.72 44.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.31 143.02 75.36 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 116.578 -1.815 . . . . 25.0 115.233 -174.411 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.21 70.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.497 -0.774 . . . . 25.0 109.267 174.784 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.09 70.16 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.083 -179.571 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -93.33 7.29 45.03 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.015 0.436 . . . . 25.0 110.264 -178.345 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 m -131.44 158.36 41.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.829 1.418 . . . . 25.0 114.829 -171.647 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.08 150.5 49.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.224 -1.769 . . . . 25.0 106.224 172.596 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.82 137.84 56.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 -176.466 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.1 p -140.18 142.62 31.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.867 -1.161 . . . . 25.0 107.867 -172.583 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -135.64 132.25 36.8 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 -177.987 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.0 44.97 25.63 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.569 0.543 . . . . 25.0 110.441 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 62.11 8.69 2.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.783 1.772 . . . . 25.0 115.783 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -115.54 131.76 23.47 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.622 -0.673 . . . . 25.0 109.782 177.927 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.66 146.48 67.14 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 116.029 -2.18 . . . . 25.0 112.086 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.9 mt -89.56 89.59 7.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 70.9 p -94.4 -12.55 27.63 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -173.29 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -105.39 104.94 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.438 0.637 . . . . 25.0 110.026 -176.922 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -70.5 -26.71 63.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.48 -0.782 . . . . 25.0 113.1 -178.571 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.57 -9.17 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.588 0.709 . . . . 25.0 112.483 -172.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -75.98 136.61 40.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.7 p -73.92 161.8 29.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.655 -1.609 . . . . 25.0 106.655 172.702 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.73 -33.62 75.52 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.375 0.607 . . . . 25.0 110.244 -179.566 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.52 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.951 176.576 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.4 m -70.86 -16.49 62.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.707 0.262 . . . . 25.0 111.707 179.173 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -96.84 -9.07 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.533 0.206 . . . . 25.0 110.526 175.441 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.98 20.69 64.67 Favored Glycine 0 N--CA 1.454 -0.162 0 N-CA-C 111.113 -0.795 . . . . 25.0 111.113 -176.025 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.5 81.54 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.888 0.852 . . . . 25.0 110.118 -178.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -72.39 169.58 16.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.515 -1.221 . . . . 25.0 113.083 -178.808 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.59 128.65 38.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.97 -1.014 . . . . 25.0 109.635 173.005 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.39 0.47 82.36 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.281 -0.872 . . . . 25.0 113.763 178.327 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.37 162.83 26.17 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.643 1.222 . . . . 25.0 110.837 178.083 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.27 136.44 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -172.699 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.97 161.18 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 175.207 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 98.2 mt -122.12 132.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -178.204 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 12.5 tp -115.61 139.96 49.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 179.119 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -130.41 121.64 26.29 Favored 'General case' 0 CA--C 1.508 -0.642 0 O-C-N 121.915 -0.491 . . . . 25.0 109.755 175.195 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 123.474 1.607 . . . . 25.0 111.514 -178.669 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.5 p80 . . . . . 0 C--O 1.235 0.34 0 N-CA-C 103.957 -2.609 . . . . 25.0 103.957 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -121.07 168.54 11.43 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 172.793 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -120.34 138.5 53.69 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 -176.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -127.55 150.07 49.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.386 -1.339 . . . . 25.0 107.386 174.108 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -110.39 133.92 52.81 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.2 133.56 67.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 -178.418 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.88 115.96 28.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 173.955 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -97.51 129.29 44.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 25.0 109.748 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.6 t -112.69 127.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.434 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.588 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 31.6 mmm-85 -122.06 140.73 52.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.665 -1.605 . . . . 25.0 106.665 -178.387 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.51 -17.85 64.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.776 0.322 . . . . 25.0 111.689 178.114 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.95 13.71 4.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -176.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.0 mt 58.4 35.25 24.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.954 1.359 . . . . 25.0 110.128 -176.212 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -106.01 26.03 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.126 -1.852 . . . . 25.0 110.939 -175.752 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.588 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 14.0 mp0 -72.42 148.07 45.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.574 0.702 . . . . 25.0 110.993 -168.356 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.26 155.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 -174.366 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -135.74 146.69 47.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 175.506 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -154.55 173.73 15.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 -175.385 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.3 m -129.94 146.93 51.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 178.724 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.0 mt -120.91 145.84 47.25 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.044 0.45 . . . . 25.0 111.45 -176.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -103.61 113.58 27.2 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.15 163.05 27.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.513 -0.18 . . . . 25.0 110.513 -174.229 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -82.17 163.25 22.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 175.558 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.62 93.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.653 -0.249 . . . . 25.0 111.022 176.824 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -94.73 15.45 18.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.481 0.658 . . . . 25.0 112.64 -175.364 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.9 132.42 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 176.469 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.64 151.41 47.4 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.151 -0.343 . . . . 25.0 111.742 -177.294 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.29 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 174.25 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.406 0.622 . . . . 25.0 110.417 175.846 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -69.56 -39.44 77.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.532 0.682 . . . . 25.0 109.338 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.58 -44.26 96.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.902 0.705 . . . . 25.0 112.902 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -69.27 -27.89 65.83 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.728 -0.789 . . . . 25.0 110.426 -179.266 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.11 -40.67 71.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.099 0.476 . . . . 25.0 109.851 174.865 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.1 -36.13 82.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.931 0.872 . . . . 25.0 109.744 178.195 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.28 -38.97 92.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.746 175.572 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -36.32 83.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.8 -49.56 76.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 25.0 111.203 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.86 -32.09 65.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.278 0.561 . . . . 25.0 111.839 -178.528 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t -81.38 -21.11 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -177.241 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.21 12.47 84.31 Favored Glycine 0 CA--C 1.518 0.231 0 N-CA-C 114.475 0.55 . . . . 25.0 114.475 177.681 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.8 pt -135.52 145.97 55.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 117.307 0.554 . . . . 25.0 109.933 -179.486 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -63.71 135.91 51.08 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 117.005 -1.53 . . . . 25.0 113.775 -178.86 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.6 -24.66 67.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.115 178.173 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.11 69.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 25.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -92.53 19.11 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.389 0.614 . . . . 25.0 110.287 -177.259 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -145.67 170.5 16.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 -177.169 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -125.13 127.81 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 178.789 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.2 tt -97.03 132.57 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 -179.114 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.45 135.04 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 123.819 0.847 . . . . 25.0 110.362 -170.55 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -135.96 138.91 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 176.382 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.49 41.27 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.34 0.59 . . . . 25.0 110.284 -176.335 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 58.92 12.2 2.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.464 1.653 . . . . 25.0 115.464 -178.029 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -116.05 139.66 25.36 Favored Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 121.78 -0.575 . . . . 25.0 110.273 176.617 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 150.46 56.8 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 115.839 -2.307 . . . . 25.0 112.024 177.693 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.13 95.36 7.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.396 -0.965 . . . . 25.0 108.396 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.6 p -83.88 -23.31 31.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 25.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -90.78 115.87 28.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.713 -0.676 . . . . 25.0 109.486 -177.924 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -94.65 -22.91 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 -176.893 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.82 -8.74 59.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 118.134 2.642 . . . . 25.0 118.134 -165.27 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 164' ' ' TYR . 97.1 mtt180 -93.03 163.85 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 176.38 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -79.59 165.34 23.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.183 177.223 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.86 -41.77 96.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.494 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.76 -31.13 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.734 0.302 . . . . 25.0 110.758 177.849 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -71.32 -16.49 62.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 178.599 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 159' ' ' ARG . 69.2 m-85 -102.0 -2.49 29.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.617 0.246 . . . . 25.0 110.472 175.457 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.29 15.75 66.0 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 114.393 0.517 . . . . 25.0 114.393 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.84 81.71 2.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 117.959 0.879 . . . . 25.0 109.326 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 170.85 15.83 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.491 0.662 . . . . 25.0 112.625 -178.072 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -53.02 118.03 3.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.52 75.34 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-O 119.536 -0.591 . . . . 25.0 114.101 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -72.13 160.37 32.57 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.996 0.898 . . . . 25.0 110.288 179.244 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.13 130.11 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.732 0.777 . . . . 25.0 112.57 -172.475 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.96 151.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 106.828 -1.545 . . . . 25.0 106.828 177.56 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 64.0 mt -126.08 126.14 69.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 -178.305 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 38.6 tp -102.85 131.61 49.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 177.335 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -128.39 113.6 15.78 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.705 0.632 . . . . 25.0 112.705 -177.699 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 124.677 2.179 . . . . 25.0 111.056 174.157 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.7 p80 . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 105.765 -1.939 . . . . 25.0 105.765 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -109.26 166.66 10.69 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.252 0.548 . . . . 25.0 110.122 178.892 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.3 tp -125.22 132.48 52.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 -178.696 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -122.11 153.61 38.47 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 178.525 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.5 m -106.88 141.21 38.47 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.114 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.97 128.38 75.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 179.193 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -113.76 111.0 21.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -97.45 122.71 40.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.227 0.537 . . . . 25.0 110.514 -176.099 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.1 t -105.4 126.41 60.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.172 -178.092 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -119.16 147.62 43.99 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.055 -1.831 . . . . 25.0 106.055 174.067 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -61.0 -33.15 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.693 0.997 . . . . 25.0 113.693 -173.899 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -85.7 27.75 0.83 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -173.644 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt 56.28 27.31 11.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 122.468 1.128 . . . . 25.0 111.629 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.5 m -88.05 25.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.162 -1.381 . . . . 25.0 110.637 179.492 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.37 152.31 42.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.059 -0.973 . . . . 25.0 110.319 -165.154 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -148.64 155.26 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -173.306 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -136.97 149.05 47.3 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 175.441 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -156.68 173.25 17.23 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 105.888 -1.893 . . . . 25.0 105.888 -177.685 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.7 m -128.18 151.19 49.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.6 mt -126.82 142.01 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.27 0.557 . . . . 25.0 111.65 -177.43 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -95.3 115.2 27.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 178.883 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 m -138.26 161.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.323 0.582 . . . . 25.0 111.436 -175.875 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -81.76 161.35 23.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 175.807 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.7 98.22 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 177.642 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -93.87 17.61 11.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.664 0.745 . . . . 25.0 112.565 -176.041 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -66.14 132.78 49.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 177.373 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.25 150.54 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.919 0.34 . . . . 25.0 111.919 -177.646 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.84 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 169.304 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -59.58 -41.6 90.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.759 177.552 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -77.85 -37.14 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.713 0.768 . . . . 25.0 110.03 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -61.13 -43.2 99.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.085 -0.507 . . . . 25.0 112.334 -179.193 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -68.06 -28.08 67.06 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.627 -0.429 . . . . 25.0 111.33 179.14 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.78 68.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 176.471 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.58 -36.55 84.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.479 0.657 . . . . 25.0 109.491 176.21 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.31 -36.28 83.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.805 178.189 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.73 -44.15 97.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.657 -0.498 . . . . 25.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.59 -47.31 86.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.281 -0.418 . . . . 25.0 112.023 -178.975 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -75.45 -32.54 60.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.808 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 93.6 p -83.68 -23.1 31.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.885 -0.51 . . . . 25.0 112.097 -177.523 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.12 11.06 85.9 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.966 -0.635 . . . . 25.0 113.66 177.578 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.2 pt -127.19 145.21 53.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 178.787 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.89 139.03 66.07 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 116.792 -1.672 . . . . 25.0 114.065 -176.861 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.69 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 174.148 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.5 67.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.077 -0.51 . . . . 25.0 111.869 178.717 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -100.89 9.64 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.762 0.315 . . . . 25.0 110.743 -178.267 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -139.0 160.1 40.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.566 0.698 . . . . 25.0 112.818 -171.379 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -121.41 152.5 38.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 177.726 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -115.79 135.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.5 t -133.92 137.88 51.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.062 0.945 . . . . 25.0 109.423 -173.873 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 149' ' ' TYR . . . . . 0.407 ' HB3' HD21 ' A' ' 154' ' ' LEU . 53.8 t80 -142.02 141.48 32.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.397 -1.705 . . . . 25.0 106.397 175.332 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.82 45.3 24.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.9 0.381 . . . . 25.0 110.771 -178.124 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 60.54 10.09 2.37 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.455 1.65 . . . . 25.0 115.455 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -125.78 141.84 40.43 Favored Pre-proline 0 N--CA 1.469 0.498 0 O-C-N 121.741 -0.599 . . . . 25.0 110.434 -177.61 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.57 147.85 46.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 116.185 -2.077 . . . . 25.0 112.855 -178.346 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 149' ' ' TYR . 73.9 mt -95.47 103.24 15.1 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 178.135 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.7 p -112.77 -23.27 10.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.29 1.218 . . . . 25.0 114.29 -173.588 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.33 98.06 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 179.453 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.81 -25.16 66.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.173 -0.921 . . . . 25.0 112.93 -175.848 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.98 -8.63 58.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.132 0.789 . . . . 25.0 113.132 -172.836 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -87.51 145.04 26.41 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 178.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -81.45 166.46 20.34 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 173.362 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.34 -37.42 87.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.518 -0.31 . . . . 25.0 111.401 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.141 -0.35 . . . . 25.0 110.451 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.2 m -69.53 -16.76 63.5 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.656 0.243 . . . . 25.0 111.656 177.621 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -99.0 -6.69 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.578 0.228 . . . . 25.0 110.609 176.008 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.52 18.69 59.81 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.235 -0.507 . . . . 25.0 113.64 -178.247 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.07 84.04 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 117.833 0.817 . . . . 25.0 109.85 178.292 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -66.42 162.15 21.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.174 -0.921 . . . . 25.0 110.448 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -58.88 130.43 46.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 25.0 109.156 173.709 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.44 -3.84 82.06 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.059 -0.973 . . . . 25.0 113.734 179.016 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -76.19 163.98 26.53 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.539 1.169 . . . . 25.0 111.58 178.683 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 23.5 t -116.76 129.14 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 25.0 112.361 -173.946 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.74 145.46 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.197 -1.779 . . . . 25.0 106.197 174.038 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -113.15 124.89 70.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.974 -1.121 . . . . 25.0 107.974 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 11.7 tp -105.98 140.01 39.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.1 -1.815 . . . . 25.0 106.1 177.789 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -135.01 112.15 10.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -176.28 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.205 -1.242 0 CA-C-O 125.209 2.433 . . . . 25.0 110.688 175.612 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -146.48 152.82 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 -178.196 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.4 tp -107.33 123.51 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -178.723 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.84 156.38 28.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 -178.813 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.4 m -112.55 138.36 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.962 0.41 . . . . 25.0 110.058 -179.448 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.03 124.12 66.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -103.45 119.0 38.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 174.611 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.6 t -97.55 125.14 42.09 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.2 t -116.73 127.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.455 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 6.4 mtm180 -119.31 146.79 44.97 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 178.674 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.13 -28.94 70.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.503 . . . . 25.0 110.07 176.933 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.55 24.5 1.19 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -175.797 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.8 mt 55.54 38.2 29.9 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.181 0.991 . . . . 25.0 112.744 177.271 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 m -105.85 25.59 10.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.625 -1.17 . . . . 25.0 113.19 -177.576 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.455 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 13.2 mp0 -72.38 146.94 46.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.66 0.743 . . . . 25.0 112.172 -164.843 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.88 154.3 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 -175.542 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 t -130.25 145.09 51.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 176.993 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -154.24 173.74 15.72 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -176.79 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -127.12 152.63 47.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.11 146.84 52.51 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.926 0.49 . . . . 25.0 109.972 -177.656 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -105.07 126.13 51.74 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.43 165.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 -174.502 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.67 158.97 24.08 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 105.515 -2.031 . . . . 25.0 105.515 172.421 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.96 -35.08 77.42 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 174.489 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -90.75 13.03 17.34 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -177.058 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -67.8 133.98 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 179.421 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.87 150.13 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.454 -0.154 . . . . 25.0 110.905 -179.341 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -34.81 77.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 171.736 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -59.36 -43.55 92.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 25.0 110.663 179.473 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -77.93 -32.13 51.42 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.388 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -63.68 -44.52 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -69.86 -29.19 66.37 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.164 -0.614 . . . . 25.0 110.58 -179.692 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.76 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.439 0.638 . . . . 25.0 109.543 174.873 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.08 -38.48 90.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.108 179.685 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.9 p -77.47 -25.31 50.36 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.652 -0.655 . . . . 25.0 111.516 177.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.6 -37.0 86.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 175.834 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.48 -46.21 90.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 25.0 111.725 178.585 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -77.19 -31.34 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.188 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 80.1 p -84.27 -19.94 33.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.092 -0.38 . . . . 25.0 111.765 -178.176 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.24 12.09 84.68 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 121.304 -0.474 . . . . 25.0 113.898 176.605 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.6 pt -132.52 145.56 57.75 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 117.229 0.515 . . . . 25.0 110.648 -179.24 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.0 134.06 41.32 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 116.797 -1.669 . . . . 25.0 114.478 -177.918 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.62 -24.7 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 25.0 109.618 175.141 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.22 -26.07 65.52 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.95 -0.568 . . . . 25.0 112.091 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -96.3 9.15 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.142 0.496 . . . . 25.0 110.974 -177.248 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.3 p -137.78 172.49 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.386 0.612 . . . . 25.0 111.145 -175.584 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -125.52 138.12 53.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -179.628 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.0 tt -107.37 132.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.839 0.828 . . . . 25.0 109.198 -178.112 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.2 t -122.06 137.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.911 -1.04 . . . . 25.0 109.331 -174.174 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -138.62 135.61 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.245 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.4 41.56 28.37 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.309 0.576 . . . . 25.0 110.38 -175.924 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 59.16 12.1 2.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.527 1.677 . . . . 25.0 115.527 -177.914 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -117.75 141.46 29.1 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.801 -0.562 . . . . 25.0 109.575 177.202 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.79 149.74 54.71 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 115.214 -2.724 . . . . 25.0 111.845 178.818 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 74.6 mt -92.37 141.79 28.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.37 -1.715 . . . . 25.0 106.37 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.6 p -128.5 -43.58 1.41 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.109 1.522 . . . . 25.0 115.109 -174.415 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -85.44 96.67 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.637 . . . . 25.0 110.417 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -68.12 -21.31 64.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -174.235 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -75.81 -16.66 60.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -174.129 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -77.96 148.68 34.36 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.038 0.447 . . . . 25.0 111.818 -176.709 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.7 m -70.67 157.17 38.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.934 174.015 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 66.1 mt -65.28 -35.3 80.6 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.075 0.464 . . . . 25.0 111.085 179.016 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.06 69.89 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.1 -0.375 . . . . 25.0 111.262 175.793 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.9 m -69.81 -16.5 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 179.356 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -99.4 -5.98 28.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.997 -0.372 . . . . 25.0 109.997 174.552 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.51 21.48 62.03 Favored Glycine 0 N--CA 1.454 -0.148 0 N-CA-C 111.69 -0.564 . . . . 25.0 111.69 -176.569 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.27 81.48 3.05 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 122.115 0.959 . . . . 25.0 110.632 -178.822 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -74.6 171.64 13.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 113.511 -1.677 . . . . 25.0 114.194 -177.935 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.76 128.89 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.761 172.53 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 87.74 -2.52 85.99 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 25.0 113.341 175.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -77.42 158.73 29.89 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.143 0.972 . . . . 25.0 110.664 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 16.7 t -123.2 135.3 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.973 -171.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.91 158.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 172.819 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 66.6 mt -125.22 115.22 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -178.834 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -96.51 131.72 42.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.981 -1.488 . . . . 25.0 106.981 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -124.68 120.11 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.686 0.279 . . . . 25.0 111.705 -177.942 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 125.289 2.471 . . . . 25.0 110.544 174.086 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -145.83 161.61 39.57 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.0 tp -107.68 135.09 49.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 25.0 110.787 -177.382 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.6 mt -124.94 146.04 49.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 177.321 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -102.49 136.99 41.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 177.294 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.06 130.24 74.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -119.49 108.04 14.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.8 m -97.86 121.28 39.59 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 122.363 0.265 . . . . 25.0 110.291 -176.631 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.6 t -109.87 132.29 58.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 122.703 0.401 . . . . 25.0 111.933 -175.503 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -113.59 151.21 31.98 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 172.565 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -62.65 -32.1 73.08 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.873 0.368 . . . . 25.0 111.163 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.54 31.31 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.134 0.79 . . . . 25.0 113.134 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt 52.93 39.78 29.82 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 122.431 1.11 . . . . 25.0 112.384 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.98 25.19 11.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.364 -1.289 . . . . 25.0 112.252 -177.211 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -72.37 152.42 42.06 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.073 0.94 . . . . 25.0 113.256 -170.569 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.8 p -145.49 152.52 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.274 -1.75 . . . . 25.0 106.274 -176.826 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -139.92 148.94 42.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.632 -1.248 . . . . 25.0 107.632 176.879 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -157.31 174.1 15.95 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 -176.394 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 56.1 m -126.51 146.77 49.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 178.322 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.76 147.66 50.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 -178.33 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -108.28 128.32 54.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.545 -1.28 . . . . 25.0 107.545 177.767 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.83 160.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -177.893 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.22 160.74 30.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.22 0.533 . . . . 25.0 110.026 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.45 81.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.221 0.534 . . . . 25.0 109.982 175.855 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -98.64 16.12 23.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.858 -0.61 . . . . 25.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.2 143.2 57.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.04 139.81 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 25.0 111.329 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.63 -33.26 72.52 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 175.017 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -54.23 -48.25 71.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.525 -0.307 . . . . 25.0 111.641 175.311 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -77.82 -29.41 50.65 Favored 'General case' 0 C--O 1.211 -0.924 0 C-N-CA 120.959 -0.297 . . . . 25.0 111.195 -176.084 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.4 -38.71 90.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.963 0.411 . . . . 25.0 111.295 176.399 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -60.98 -49.54 77.04 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 175.932 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.13 83.67 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.036 -0.984 . . . . 25.0 111.521 -179.019 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.8 mp -64.91 -47.63 77.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.134 -0.354 . . . . 25.0 111.187 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 17.6 p -72.1 -25.42 61.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.022 -0.671 . . . . 25.0 111.179 -178.488 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.39 -46.74 72.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.45 -43.61 85.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.522 -179.241 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -65.46 -35.34 80.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.255 0.55 . . . . 25.0 110.789 -178.755 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.5 m -81.69 -26.24 34.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.748 178.985 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.39 33.02 49.72 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.048 -0.596 . . . . 25.0 112.165 179.504 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.5 pt -120.17 154.44 55.98 Favored Pre-proline 0 C--O 1.217 -0.658 0 O-C-N 122.671 -0.311 . . . . 25.0 111.486 -173.759 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -73.88 138.7 26.38 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 115.904 -2.264 . . . . 25.0 111.941 174.736 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.35 -32.53 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.885 -0.509 . . . . 25.0 111.561 175.228 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.04 -24.57 67.15 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.6 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -104.16 15.62 28.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.316 0.246 . . . . 25.0 111.142 -177.678 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.8 p -127.97 154.49 45.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.152 1.167 . . . . 25.0 114.152 -176.133 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -138.99 136.39 35.31 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 173.314 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -114.81 133.67 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.239 0.543 . . . . 25.0 109.88 -173.593 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.87 136.42 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.625 0.77 . . . . 25.0 110.85 -171.83 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -132.62 135.52 45.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 176.214 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.46 47.39 22.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 123.272 0.358 . . . . 25.0 110.913 -179.126 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 62.88 2.99 1.08 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.726 1.75 . . . . 25.0 115.726 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -117.2 138.01 24.49 Favored Pre-proline 0 N--CA 1.468 0.435 0 O-C-N 121.763 -0.586 . . . . 25.0 109.69 -178.445 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.13 146.86 47.24 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 115.794 -2.338 . . . . 25.0 113.457 -176.115 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.44 58.56 2.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 176.707 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -37.45 71.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.322 -0.854 . . . . 25.0 111.144 -177.21 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -75.02 129.84 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 178.226 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.76 4.24 47.68 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.853 174.919 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.3 1.68 24.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 118.808 2.892 . . . . 25.0 118.808 -165.325 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.417 ' HB2' ' CE2' ' A' ' 164' ' ' TYR . 99.8 mtt180 -137.38 166.1 24.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.563 0.62 . . . . 25.0 110.284 -178.276 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 162.49 27.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.098 -0.501 . . . . 25.0 111.142 175.902 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.84 -45.74 91.48 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -177.786 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.12 70.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.891 0.377 . . . . 25.0 110.724 178.728 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.1 t -72.77 -16.53 61.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.381 0.512 . . . . 25.0 112.381 178.921 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 159' ' ' ARG . 57.5 m-85 -95.22 -2.05 50.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.828 -0.804 . . . . 25.0 108.828 173.592 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.39 20.58 60.09 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.233 -0.439 . . . . 25.0 112.606 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.15 80.46 4.57 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 -177.827 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.17 160.9 31.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.005 -0.998 . . . . 25.0 113.189 -177.581 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.32 128.43 35.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.225 171.592 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.44 -2.09 77.25 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.486 -0.779 . . . . 25.0 114.059 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.72 164.72 23.49 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.572 1.186 . . . . 25.0 112.19 178.852 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.7 130.74 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 25.0 111.446 -175.106 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.66 136.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.806 -1.553 . . . . 25.0 106.806 178.178 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.2 mt -111.18 128.92 67.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 -178.271 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.8 tt -115.51 143.67 44.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.474 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -118.68 133.12 56.08 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 123.466 1.603 . . . . 25.0 110.941 -179.164 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.5 p80 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 104.129 -2.545 . . . . 25.0 104.129 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -151.18 172.16 16.25 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -119.75 132.25 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 -179.495 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.7 mt -121.69 153.85 37.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.75 -1.204 . . . . 25.0 107.75 176.256 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -107.27 137.49 45.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 178.943 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.02 128.57 73.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -108.83 122.0 46.26 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.821 -1.177 . . . . 25.0 107.821 175.536 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 96.6 m -113.47 117.97 33.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.026 0.917 . . . . 25.0 111.731 -177.003 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.1 t -91.7 113.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -91.76 145.45 24.57 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 174.285 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -58.64 -34.2 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.336 0.589 . . . . 25.0 111.365 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.63 19.08 3.02 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -173.154 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.6 mt 58.95 26.04 14.5 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 122.569 1.175 . . . . 25.0 111.057 -177.351 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.1 m -87.08 25.83 1.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 125.572 1.549 . . . . 25.0 110.27 177.516 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.94 149.3 45.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.328 -0.851 . . . . 25.0 110.194 -163.169 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.88 156.46 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.688 -1.142 . . . . 25.0 110.082 -166.976 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -128.14 145.93 50.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 174.562 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -154.52 173.95 15.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.352 -1.721 . . . . 25.0 106.352 178.172 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -127.6 146.9 50.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 179.543 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -119.67 144.77 47.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.474 -178.296 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -100.56 124.25 45.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.761 -1.941 . . . . 25.0 105.761 175.85 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.1 m -140.7 165.34 20.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -174.271 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -87.34 164.47 16.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.314 -0.995 . . . . 25.0 108.314 174.876 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.06 99.17 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -94.36 17.85 12.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.842 0.829 . . . . 25.0 112.299 -175.863 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.06 133.53 55.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 179.132 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HB2' ' H ' ' A' ' 129' ' ' ASN . 79.0 mt-10 -63.97 149.09 48.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.455 -0.202 . . . . 25.0 110.455 179.443 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -64.24 -36.77 85.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 168.52 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -58.36 -39.85 80.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.894 177.621 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.436 ' H ' ' HB2' ' A' ' 126' ' ' GLU . 23.3 t-20 -77.99 -36.44 48.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.698 0.761 . . . . 25.0 110.084 177.584 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.27 -45.58 92.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.696 -0.627 . . . . 25.0 112.186 179.242 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.98 69.25 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.11 178.826 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.62 71.25 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.076 0.398 . . . . 25.0 110.044 177.454 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.45 -40.65 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 25.0 109.6 177.474 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.9 t -62.94 -43.5 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.177 -0.465 . . . . 25.0 110.614 177.764 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.09 -42.63 90.95 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.273 0.629 . . . . 25.0 110.8 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.89 -50.43 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.23 -0.441 . . . . 25.0 112.021 179.479 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -70.36 -33.32 71.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.069 0.461 . . . . 25.0 111.774 -177.705 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.1 m -77.56 -28.93 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 -177.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.57 11.4 85.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.864 -0.684 . . . . 25.0 112.583 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.8 pt -131.46 141.61 42.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 179.081 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -64.09 135.69 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 116.19 -2.073 . . . . 25.0 113.013 -178.638 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.29 69.53 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.192 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.76 -25.04 64.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.863 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.11 19.15 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 m -140.58 179.21 6.81 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -176.869 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -128.26 150.82 49.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 172.999 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.14 133.85 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.415 0.626 . . . . 25.0 111.242 -176.008 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 144.62 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.196 0.522 . . . . 25.0 110.917 -173.454 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -145.81 135.69 23.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 177.933 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.18 43.01 29.39 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 122.757 0.423 . . . . 25.0 111.112 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 59.79 7.19 1.03 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.623 1.712 . . . . 25.0 115.623 -178.33 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -113.41 137.35 22.06 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.063 -0.718 . . . . 25.0 109.063 178.787 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.8 148.18 64.24 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 115.476 -2.549 . . . . 25.0 111.436 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.46 ' HB3' HD11 ' A' ' 127' ' ' LEU . 28.5 mt -89.2 75.25 7.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 -178.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 38.2 p -90.51 -30.52 17.23 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.805 2.15 . . . . 25.0 116.805 -172.4 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -83.13 86.09 7.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 -172.31 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -61.23 -21.4 63.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.81 -2.7 55.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -179.471 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -87.14 152.87 21.96 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 176.812 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 11.0 m -86.24 166.31 15.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 171.047 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.39 -35.98 81.7 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.785 -0.572 . . . . 25.0 110.637 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.14 69.31 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.197 -0.315 . . . . 25.0 111.117 174.419 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.4 m -70.47 -16.57 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -97.68 -6.04 33.95 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 174.575 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.61 71.83 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.712 -0.955 . . . . 25.0 110.712 -175.117 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.17 81.68 1.8 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 121.449 0.642 . . . . 25.0 109.639 -178.565 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 164.06 20.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.682 -178.589 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.48 119.3 3.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.512 0.93 . . . . 25.0 113.512 -177.025 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.83 -9.41 51.58 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.404 -0.816 . . . . 25.0 113.991 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -66.99 153.77 42.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 118.105 0.953 . . . . 25.0 110.591 178.581 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.94 127.87 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.494 -0.775 . . . . 25.0 110.856 -176.8 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.9 142.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 176.715 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 90.6 mt -118.8 126.31 75.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 -178.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.72 133.54 53.02 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.242 -1.762 . . . . 25.0 106.242 175.257 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -124.32 120.38 31.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.53 0.681 . . . . 25.0 112.416 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 . . . . . 0 C--O 1.21 -1.02 0 CA-C-O 124.094 1.902 . . . . 25.0 110.278 171.287 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 101.592 -3.484 . . . . 25.0 101.592 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -137.03 152.18 49.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 172.638 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.4 tp -102.08 131.96 48.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 -178.532 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.83 151.74 44.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 176.205 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 138.72 43.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.15 123.3 65.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 178.37 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -103.73 120.33 40.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.767 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -97.49 123.26 41.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 179.306 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.62 124.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.822 -0.626 . . . . 25.0 110.206 -179.588 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.407 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 69.1 mtp180 -123.06 143.89 49.66 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 107.856 -1.165 . . . . 25.0 107.856 174.074 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.81 -25.03 64.63 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -175.765 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.47 28.63 1.92 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.887 0.375 . . . . 25.0 111.96 -176.02 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt 54.58 32.73 17.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 122.235 1.017 . . . . 25.0 112.286 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.407 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 0.8 OUTLIER -91.15 25.63 2.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.713 -1.131 . . . . 25.0 109.553 179.364 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -72.33 148.02 45.76 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.575 -1.193 . . . . 25.0 111.37 -168.636 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -155.16 148.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 107.888 -1.152 . . . . 25.0 107.888 -178.187 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 t -124.9 144.78 50.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.618 -1.623 . . . . 25.0 106.618 175.709 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -150.8 170.78 18.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.147 -1.797 . . . . 25.0 106.147 -178.461 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.5 p -128.46 152.84 47.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 -179.708 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.65 148.93 52.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 -175.987 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -103.35 125.42 49.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 177.761 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.42 163.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 -177.244 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.3 -1.371 . . . . 25.0 107.3 173.649 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.37 90.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 175.458 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -95.46 19.25 11.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 25.0 112.539 -177.473 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.8 134.03 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 178.108 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.62 145.85 50.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -177.376 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -64.02 -26.67 68.67 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.422 0.63 . . . . 25.0 109.446 169.861 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -63.57 -44.68 93.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.694 -0.685 . . . . 25.0 110.614 179.541 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -77.33 -33.36 55.52 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.865 0.364 . . . . 25.0 110.285 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -61.9 -41.95 98.49 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 25.0 113.45 -178.35 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -65.72 -30.98 71.73 Favored 'General case' 0 C--O 1.216 -0.696 0 C-N-CA 119.995 -0.682 . . . . 25.0 110.441 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.71 64.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.085 0.469 . . . . 25.0 109.975 175.285 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -64.73 -45.03 88.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 25.0 110.836 -178.564 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.8 p -75.55 -25.52 57.21 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.563 -0.455 . . . . 25.0 111.241 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -65.77 -45.33 82.92 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 176.346 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.71 -45.35 93.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.159 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.82 -35.93 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -177.012 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.6 p -84.06 -21.29 31.59 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.79 -0.569 . . . . 25.0 112.135 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.09 9.65 86.4 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 121.158 -0.544 . . . . 25.0 113.829 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.46 144.14 52.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 117.336 0.568 . . . . 25.0 110.062 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -63.93 138.56 63.46 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 117.303 -1.331 . . . . 25.0 115.384 -175.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.5 -29.4 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.389 -0.967 . . . . 25.0 108.389 172.889 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.648 -0.706 . . . . 25.0 112.761 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -99.93 8.23 44.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.506 . . . . 25.0 111.172 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 71.7 p -134.45 177.26 7.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 -176.407 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -127.41 116.09 19.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.327 0.584 . . . . 25.0 109.731 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -88.75 131.19 36.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 179.4 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.7 p -140.56 141.05 33.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.514 0.673 . . . . 25.0 109.875 -174.361 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -142.39 134.03 26.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 179.35 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 43.53 25.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.015 0.436 . . . . 25.0 110.686 -177.171 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 60.61 8.52 1.75 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.305 1.594 . . . . 25.0 115.305 -178.34 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -112.27 135.46 21.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 121.818 -0.551 . . . . 25.0 110.055 178.9 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -70.95 149.97 60.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 115.985 -2.21 . . . . 25.0 112.13 179.237 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 127' ' ' LEU . 61.7 mt -102.71 77.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.319 0.581 . . . . 25.0 111.058 -178.693 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 34.3 p -92.04 -43.64 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -176.032 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.54 117.92 17.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.161 0.801 . . . . 25.0 113.161 -172.491 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -78.51 1.86 21.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.664 177.015 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -72.07 3.59 4.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.087 1.143 . . . . 25.0 114.087 -176.089 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -144.51 150.97 38.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.815 -0.553 . . . . 25.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 23.2 p -83.05 167.83 17.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.289 -0.869 . . . . 25.0 109.012 174.149 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -42.19 98.08 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.09 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.871 -0.518 . . . . 25.0 110.851 178.398 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.1 -16.58 63.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 178.084 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.404 ' CE2' HD12 ' A' ' 127' ' ' LEU . 45.1 m-85 -97.13 -3.58 40.84 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 174.319 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 94.01 9.46 59.53 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-O 119.527 -0.596 . . . . 25.0 114.104 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.47 85.29 1.52 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.105 0.952 . . . . 25.0 109.809 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -76.6 166.25 23.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.476 -0.783 . . . . 25.0 110.017 175.457 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.27 129.02 33.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 25.0 109.574 174.577 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.59 -8.25 68.66 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.7 -0.682 . . . . 25.0 114.357 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.4 160.13 29.84 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 117.952 0.876 . . . . 25.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.1 131.53 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 113.117 0.784 . . . . 25.0 113.117 -172.146 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 51.6 t -109.73 146.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.782 -1.562 . . . . 25.0 106.782 176.603 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 89.1 mt -118.81 134.0 63.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 178.805 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.8 126.01 50.89 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 177.253 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -119.96 119.49 33.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.965 0.728 . . . . 25.0 112.965 -172.474 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 125.15 2.405 . . . . 25.0 111.168 175.306 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 122.614 1.197 . . . . 25.0 113.848 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.88 150.53 5.28 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 111.037 -0.825 . . . . 25.0 111.037 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -137.97 105.72 5.62 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -123.97 159.7 29.2 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -139.95 173.56 11.4 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 106.744 -1.576 . . . . 25.0 106.744 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -119.33 152.75 36.22 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.827 -1.916 . . . . 25.0 105.827 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -153.21 161.64 42.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.545 -1.65 . . . . 25.0 106.545 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.6 174.3 15.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -144.93 155.02 43.19 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 104.819 -2.289 . . . . 25.0 104.819 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -155.65 161.54 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -140.98 148.8 40.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -138.51 169.09 18.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 p -140.04 157.44 45.65 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.797 -1.557 . . . . 25.0 106.797 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 t -161.0 154.27 21.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.18 167.01 43.24 Favored Glycine 0 C--O 1.228 -0.23 0 N-CA-C 111.897 -0.481 . . . . 25.0 111.897 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -151.35 133.8 15.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -143.51 146.58 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -123.58 -13.4 7.54 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.334 0.588 . . . . 25.0 111.273 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.05 -141.48 34.48 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 110.57 -1.012 . . . . 25.0 110.57 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -139.52 121.36 15.47 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -160.53 175.1 13.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 104.689 -2.337 . . . . 25.0 104.689 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -152.37 154.65 36.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.8 tp -104.88 130.03 53.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.157 -0.474 . . . . 25.0 110.843 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.99 145.34 45.9 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 m -99.52 139.44 35.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.427 -0.583 . . . . 25.0 109.427 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.13 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.969 -1.123 . . . . 25.0 107.969 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -120.24 110.55 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 75.3 m -99.22 126.43 45.01 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.7 t -114.62 128.64 71.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.409 0.623 . . . . 25.0 111.69 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.449 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 40.5 mtp180 -117.79 141.95 47.83 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 104.686 -2.339 . . . . 25.0 104.686 169.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -67.66 -9.08 40.14 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.54 0.686 . . . . 25.0 111.357 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.55 12.4 10.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.718 1.207 . . . . 25.0 111.71 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.3 mt 58.05 25.31 12.17 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.459 1.103 . . . . 25.0 112.992 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.449 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 1.0 OUTLIER -97.14 25.37 5.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.321 176.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -72.33 148.8 44.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.285 -0.871 . . . . 25.0 109.914 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.9 p -149.69 153.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 107.851 -1.166 . . . . 25.0 107.851 -171.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -135.76 146.96 48.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -156.67 177.5 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.094 -1.817 . . . . 25.0 106.094 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.5 p -131.98 155.01 48.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.789 -0.819 . . . . 25.0 108.789 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.0 mt -132.75 144.67 50.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.835 0.454 . . . . 25.0 111.339 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -93.44 126.36 38.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.9 m -140.74 165.78 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.985 0.421 . . . . 25.0 110.136 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -83.84 160.58 21.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.93 92.92 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.798 -0.564 . . . . 25.0 109.831 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.55 17.5 16.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.622 0.725 . . . . 25.0 112.222 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.64 137.46 58.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.83 146.95 53.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.155 -0.341 . . . . 25.0 110.189 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.84 -33.06 74.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.624 -1.25 . . . . 25.0 107.624 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.2 -41.0 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.667 -0.697 . . . . 25.0 112.785 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -80.52 -37.87 30.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.704 0.764 . . . . 25.0 109.796 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.77 -44.36 96.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.707 -0.621 . . . . 25.0 112.05 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -27.93 68.88 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.835 -0.54 . . . . 25.0 110.707 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.29 -38.58 71.77 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.08 -37.3 85.44 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.175 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.33 -41.26 98.88 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 120.823 0.344 . . . . 25.0 110.085 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.6 -44.23 97.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.999 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.92 -51.5 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.84 -35.18 69.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.969 0.414 . . . . 25.0 112.051 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.0 t -82.97 -22.97 33.57 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -176.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.44 16.61 80.59 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.292 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.7 pt -131.38 138.69 33.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -63.91 140.02 70.95 Favored 'Trans proline' 0 C--N 1.349 0.571 0 N-CA-C 116.058 1.522 . . . . 25.0 116.058 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.69 68.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.188 -0.915 . . . . 25.0 108.642 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.88 65.81 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.375 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -103.37 11.62 36.38 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.456 0.646 . . . . 25.0 110.683 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -143.25 171.25 14.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.64 0.733 . . . . 25.0 112.377 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -131.59 153.35 49.99 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.7 133.46 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.088 -1.079 . . . . 25.0 108.088 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.77 138.65 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.407 -0.815 . . . . 25.0 110.104 -170.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -141.52 140.53 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 44.71 26.27 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.063 0.458 . . . . 25.0 110.857 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.688 1.736 . . . . 25.0 115.688 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -126.45 141.1 39.04 Favored Pre-proline 0 N--CA 1.47 0.561 0 O-C-N 121.415 -0.803 . . . . 25.0 112.242 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -64.89 146.07 87.16 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 116.259 -2.027 . . . . 25.0 112.644 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.17 92.26 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.299 -1.371 . . . . 25.0 107.299 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -85.4 -25.79 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.815 1.043 . . . . 25.0 113.815 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.41 103.74 15.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.769 0.795 . . . . 25.0 111.463 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -63.59 -27.7 69.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.205 -0.907 . . . . 25.0 111.038 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -90.75 23.2 3.19 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 143.87 33.81 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 105.073 -2.195 . . . . 25.0 105.073 170.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.4 p -86.34 160.97 18.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.39 -42.25 98.41 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.874 0.369 . . . . 25.0 111.581 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.99 -30.16 68.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 59.8 p -75.74 -17.25 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.708 -0.397 . . . . 25.0 111.926 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -88.9 -13.89 38.05 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 87.91 12.38 66.27 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 110.663 -0.975 . . . . 25.0 110.663 -174.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.85 82.92 2.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.433 -0.581 . . . . 25.0 109.433 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.86 176.09 5.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 25.0 112.259 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.99 127.09 17.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.782 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.36 -10.73 69.29 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.172 -0.922 . . . . 25.0 114.033 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.11 160.75 30.09 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 117.908 0.854 . . . . 25.0 111.43 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 14.5 t -125.13 137.14 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.3 m -118.75 155.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.46 121.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.2 tt -102.26 134.5 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -123.99 109.29 13.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.872 0.469 . . . . 25.0 110.939 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 123.86 1.79 . . . . 25.0 111.804 179.388 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 122.868 1.318 . . . . 25.0 113.761 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.55 155.06 24.22 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 107.211 -2.356 . . . . 25.0 107.211 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -89.07 -42.0 11.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.676 0.738 . . . . 25.0 112.543 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -158.0 171.04 20.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 106.881 -1.525 . . . . 25.0 106.881 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -139.31 165.7 26.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -153.72 149.42 27.47 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.954 -1.498 . . . . 25.0 106.954 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -135.12 166.86 22.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.1 m80 53.84 34.41 19.23 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.846 0.716 . . . . 25.0 111.672 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -96.98 10.93 37.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 25.0 111.305 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -84.19 132.6 34.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.551 -1.278 . . . . 25.0 107.551 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -152.11 145.75 24.98 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -149.03 141.15 23.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 p -153.49 106.94 2.98 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.2 p -155.48 166.4 33.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.837 -1.171 . . . . 25.0 107.837 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.17 156.82 32.17 Favored Glycine 0 C--O 1.226 -0.382 0 C-N-CA 121.412 -0.423 . . . . 25.0 112.133 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -164.58 -49.29 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.91 0.386 . . . . 25.0 110.443 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.3 pt -135.36 162.15 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 25.0 110.197 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -107.05 9.83 30.43 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.865 0.84 . . . . 25.0 109.115 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.48 -140.45 24.43 Favored Glycine 0 CA--C 1.518 0.224 0 N-CA-C 111.293 -0.723 . . . . 25.0 111.293 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 56.12 22.88 6.37 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.057 1.873 . . . . 25.0 116.057 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -139.91 165.76 26.44 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -135.14 161.05 36.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 123.736 0.647 . . . . 25.0 110.405 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.23 134.66 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.03 0.532 . . . . 25.0 110.06 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.52 150.88 47.03 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.6 m -103.98 136.44 43.62 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.4 t -125.08 126.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -112.67 109.84 19.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 35.0 t -97.5 129.84 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.49 131.8 72.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 120.959 0.409 . . . . 25.0 111.7 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -126.97 147.16 50.12 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -28.77 63.74 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.041 0.448 . . . . 25.0 111.29 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -74.72 9.2 1.93 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 114.423 1.268 . . . . 25.0 114.423 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.5 mt 59.21 26.84 15.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 122.417 1.104 . . . . 25.0 110.277 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t -90.99 21.44 4.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.888 -1.506 . . . . 25.0 107.628 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.54 151.57 42.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.01 -0.995 . . . . 25.0 111.311 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -153.41 148.8 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 t -127.56 137.94 52.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.82 175.36 12.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.846 -1.538 . . . . 25.0 106.846 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -129.25 147.89 51.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -131.87 150.52 52.13 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 135.91 44.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.1 m -140.31 158.98 25.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -83.79 166.02 18.34 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.05 88.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.57 0.7 . . . . 25.0 110.653 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.3 2.89 51.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.394 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.7 126.58 28.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.387 -0.597 . . . . 25.0 109.387 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 160' ' ' SER . 47.0 mt-10 -78.48 153.56 31.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 25.0 111.687 -175.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -36.04 79.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.14 177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -57.77 -45.99 85.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.124 0.488 . . . . 25.0 109.697 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.5 -35.58 77.7 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.263 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -63.86 -36.39 83.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.704 -0.622 . . . . 25.0 112.521 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -66.03 -43.11 88.55 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.56 95.83 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.558 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.96 -42.42 89.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -73.36 -25.41 60.58 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.237 -0.585 . . . . 25.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -67.82 -42.71 81.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.14 -46.49 86.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.517 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -68.54 -42.9 77.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.216 0.532 . . . . 25.0 111.979 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.2 t -75.73 -26.94 57.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.22 14.64 81.71 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.785 -0.526 . . . . 25.0 111.785 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.61 130.01 22.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.26 131.93 49.2 Favored 'Trans proline' 0 C--N 1.352 0.761 0 N-CA-C 115.684 1.378 . . . . 25.0 115.684 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.2 -23.58 63.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.45 69.25 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.845 0.355 . . . . 25.0 110.9 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -84.48 15.01 3.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.86 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.8 p -139.03 169.36 17.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 116.675 2.102 . . . . 25.0 116.675 -172.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -117.5 149.36 40.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.996 -1.853 . . . . 25.0 105.996 168.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -116.6 131.37 69.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.213 -1.403 . . . . 25.0 107.213 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 123.729 0.811 . . . . 25.0 110.442 -169.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -140.87 142.06 34.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.59 -1.634 . . . . 25.0 106.59 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.89 44.78 28.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.188 0.518 . . . . 25.0 110.141 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.18 10.04 1.54 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.999 1.852 . . . . 25.0 115.999 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -127.94 146.6 59.7 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 121.594 -0.691 . . . . 25.0 111.408 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.89 150.56 55.52 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 116.2 -2.067 . . . . 25.0 112.975 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 54.1 mt -90.28 140.79 29.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.9 p -126.46 -43.45 1.75 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.848 1.796 . . . . 25.0 115.848 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -80.54 98.28 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -76.47 -12.05 59.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.76 -17.99 32.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.327 0.584 . . . . 25.0 110.627 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -65.81 150.57 48.34 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 120.577 -0.449 . . . . 25.0 110.346 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 95.0 p -77.82 162.6 26.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 171.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.7 mt -67.18 -33.13 74.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.199 0.523 . . . . 25.0 110.006 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.2 70.06 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.358 -0.383 . . . . 25.0 111.228 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.2 m -69.85 -16.48 63.27 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.02 0.378 . . . . 25.0 112.02 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -99.12 -7.09 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.73 24.15 54.0 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.223 -0.751 . . . . 25.0 111.223 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.59 83.35 1.54 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.55 164.89 22.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.707 -0.679 . . . . 25.0 112.007 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -54.87 128.64 34.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.234 -0.893 . . . . 25.0 110.217 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.69 -11.83 64.59 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.795 -0.639 . . . . 25.0 114.519 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.75 150.57 48.31 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.314 1.057 . . . . 25.0 111.351 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.66 130.13 65.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.392 -0.822 . . . . 25.0 109.53 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.4 t -116.96 139.14 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.3 132.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 18.5 tp -116.86 127.86 54.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.311 -1.737 . . . . 25.0 106.311 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -122.94 107.83 12.28 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.792 -0.567 . . . . 25.0 111.162 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 123.693 1.711 . . . . 25.0 111.586 178.55 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 122.722 1.248 . . . . 25.0 113.677 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.69 174.49 44.57 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 109.572 -1.411 . . . . 25.0 109.572 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -146.06 140.89 27.1 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 170.71 21.81 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 -177.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.77 162.16 35.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -100.8 95.13 6.44 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -80.86 117.98 21.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.468 . . . . 25.0 110.873 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.57 153.97 22.91 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.443 -1.318 . . . . 25.0 107.443 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -134.64 165.33 25.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -117.39 162.07 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -149.02 166.11 29.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 103.591 -2.744 . . . . 25.0 103.591 176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -94.23 155.69 16.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.123 -1.066 . . . . 25.0 108.123 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.1 p -149.97 161.15 42.89 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 104.55 -2.389 . . . . 25.0 104.55 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.8 m 51.99 -156.71 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.024 0.827 . . . . 25.0 112.254 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 171.19 -177.21 44.24 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 107.014 -2.434 . . . . 25.0 107.014 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -115.39 101.24 8.72 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.996 -1.113 . . . . 25.0 107.996 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.2 tt -101.72 136.55 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 106.02 -1.845 . . . . 25.0 106.02 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -141.01 145.7 36.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.06 159.48 31.49 Favored Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 108.51 -1.836 . . . . 25.0 108.51 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -78.55 136.99 37.68 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -154.23 170.45 21.21 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 102.237 -3.246 . . . . 25.0 102.237 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -143.01 161.35 38.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.428 0.558 . . . . 25.0 109.725 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.77 135.0 54.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -127.13 157.84 38.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 m -111.5 143.91 41.58 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.1 t -125.05 119.38 55.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -101.21 108.94 20.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -94.19 124.95 38.52 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.39 127.28 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.421 0.629 . . . . 25.0 110.846 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -110.41 142.97 41.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -70.05 -8.23 47.55 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 121.224 0.535 . . . . 25.0 110.857 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -99.2 15.97 24.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.079 -0.964 . . . . 25.0 109.641 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt 57.13 25.21 10.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.32 26.05 1.76 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.686 0.755 . . . . 25.0 110.31 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.35 150.58 43.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.86 -1.064 . . . . 25.0 113.208 -172.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -153.2 154.48 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -130.06 141.96 50.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -153.72 170.73 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -126.08 151.83 46.67 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.239 0.472 . . . . 25.0 110.711 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.01 148.5 48.43 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.15 139.84 37.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.503 -0.925 . . . . 25.0 108.503 176.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.31 167.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -83.58 162.5 20.81 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.85 97.67 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 122.122 -0.361 . . . . 25.0 111.326 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -96.44 18.14 14.62 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.602 0.715 . . . . 25.0 111.37 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.74 126.79 28.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.21 148.73 49.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.592 -0.277 . . . . 25.0 110.927 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.75 -29.83 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.192 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -59.35 -43.94 92.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.073 0.463 . . . . 25.0 110.355 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -77.86 -34.18 51.84 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.356 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -64.62 -41.95 95.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -27.33 66.31 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.691 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.44 64.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.94 -43.55 78.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.335 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.3 p -74.92 -25.36 58.85 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.134 -0.626 . . . . 25.0 111.241 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -65.49 -41.58 93.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.67 -48.11 78.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.583 -0.281 . . . . 25.0 111.575 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -68.31 -38.94 82.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.093 0.473 . . . . 25.0 112.014 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 t -82.1 -21.55 36.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.52 27.48 73.41 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.02 -0.61 . . . . 25.0 114.151 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 37.9 pt -126.4 146.8 57.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -64.98 132.88 33.65 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 115.915 -2.257 . . . . 25.0 112.788 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.38 -28.24 69.56 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.899 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.57 -25.38 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -97.16 11.62 35.66 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.264 0.554 . . . . 25.0 110.79 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.4 p -146.53 173.49 12.27 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 -174.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -138.62 144.91 39.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 25.0 110.736 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -100.08 133.18 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.841 0.829 . . . . 25.0 108.823 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.02 133.88 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.059 -0.973 . . . . 25.0 108.69 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -138.58 141.61 39.2 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.31 41.64 28.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.212 0.53 . . . . 25.0 109.93 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 59.63 11.34 2.34 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.484 1.661 . . . . 25.0 115.484 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -124.58 146.5 52.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 O-C-N 121.499 -0.75 . . . . 25.0 111.586 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.74 150.34 62.07 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 115.785 -2.343 . . . . 25.0 112.54 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.52 137.0 32.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 82.6 p -126.25 -6.54 6.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.701 2.111 . . . . 25.0 116.701 -170.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -122.19 99.73 6.58 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.821 0.819 . . . . 25.0 109.022 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -75.84 -11.97 60.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.96 -5.97 58.92 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.665 -0.647 . . . . 25.0 110.816 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -86.53 148.76 25.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 54.8 p -81.85 162.35 22.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.379 -0.828 . . . . 25.0 110.121 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.11 -34.64 78.5 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.07 0.462 . . . . 25.0 111.628 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.76 70.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.517 -0.311 . . . . 25.0 111.315 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -68.47 -18.25 64.37 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.256 -0.277 . . . . 25.0 111.577 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -102.15 -2.44 29.32 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.206 0.527 . . . . 25.0 110.618 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.52 60.37 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-O 119.161 -0.799 . . . . 25.0 113.732 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.46 86.0 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.145 0.972 . . . . 25.0 109.83 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -80.55 163.64 23.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.682 0.754 . . . . 25.0 110.801 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -56.11 122.14 11.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.661 0.744 . . . . 25.0 112.127 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.47 -7.6 56.21 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.514 -0.767 . . . . 25.0 113.454 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -69.51 158.26 35.56 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.165 0.983 . . . . 25.0 109.378 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.58 141.94 44.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.678 -0.692 . . . . 25.0 110.053 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.63 159.27 17.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.277 -1.379 . . . . 25.0 107.277 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.19 120.9 65.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -98.61 123.22 42.66 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.796 -2.298 . . . . 25.0 104.796 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.06 117.32 28.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.359 -0.838 . . . . 25.0 111.343 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 126.483 3.04 . . . . 25.0 111.296 176.767 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 75.7 mtm . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 124.895 2.283 . . . . 25.0 112.695 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.81 158.64 39.11 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 113.013 -1.903 . . . . 25.0 110.76 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -142.61 137.05 29.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 65.56 169.85 0.21 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.494 1.118 . . . . 25.0 110.762 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -152.82 134.21 14.36 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 121.591 -0.693 . . . . 25.0 111.877 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.3 t60 46.19 47.36 13.28 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.13 1.9 . . . . 25.0 116.13 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -71.93 114.71 10.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.801 -1.555 . . . . 25.0 106.801 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -128.24 146.5 50.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.578 0.228 . . . . 25.0 110.962 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -72.03 140.86 49.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -112.58 42.8 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.787 0.803 . . . . 25.0 109.888 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -153.93 143.45 21.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -150.44 133.73 16.31 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.5 t 54.11 30.16 11.58 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.301 1.223 . . . . 25.0 114.301 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m 60.38 179.3 0.1 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.863 0.865 . . . . 25.0 113.048 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.08 151.74 17.39 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 109.144 -1.582 . . . . 25.0 109.144 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -75.09 154.08 38.03 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.3 tt -146.59 156.08 11.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 105.028 -2.212 . . . . 25.0 105.028 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -71.93 140.6 49.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -108.15 -81.71 1.37 Allowed Glycine 0 C--O 1.222 -0.637 0 C-N-CA 121.507 -0.378 . . . . 25.0 112.776 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 53.26 47.04 25.21 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.521 0.728 . . . . 25.0 112.867 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -123.45 163.2 21.33 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -110.59 162.47 14.69 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 134.64 53.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.12 152.47 41.07 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.1 m -102.65 140.13 37.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.777 -1.194 . . . . 25.0 107.777 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.07 130.37 73.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -116.22 112.45 21.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.1 t -97.58 122.07 40.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.42 126.6 70.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.329 0.585 . . . . 25.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.71 143.75 42.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 173.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.55 -27.42 68.61 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.298 0.57 . . . . 25.0 110.25 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.72 11.5 1.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.1 mt 58.59 23.1 10.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.335 1.054 . . . . 25.0 112.02 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.4 t -92.71 25.76 2.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.558 -1.201 . . . . 25.0 108.317 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.154 -0.93 . . . . 25.0 111.547 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.4 154.85 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 t -133.75 147.17 51.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 174.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -154.19 176.09 12.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 p -132.56 153.45 50.98 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.0 mt -129.84 147.2 51.58 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -103.99 126.51 51.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.075 -1.824 . . . . 25.0 106.075 172.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.4 m -136.73 161.95 35.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -84.56 165.34 18.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.57 86.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -91.3 17.12 8.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.35 128.15 35.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.512 -0.742 . . . . 25.0 110.64 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -69.08 151.97 45.77 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.754 0.311 . . . . 25.0 111.345 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -61.75 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.102 172.485 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -64.75 -36.79 85.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 25.0 111.09 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -77.87 -35.5 50.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.782 0.801 . . . . 25.0 109.473 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.0 -44.5 96.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 25.0 112.019 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -27.97 68.83 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 119.925 -0.71 . . . . 25.0 110.908 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.98 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.158 0.435 . . . . 25.0 109.885 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.99 -38.96 92.7 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.232 0.539 . . . . 25.0 110.366 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.3 t -63.86 -42.86 97.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.207 0.527 . . . . 25.0 110.489 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.92 -39.85 93.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.566 . . . . 25.0 110.695 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.56 -48.4 81.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -75.63 -34.74 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 84.2 p -77.74 -25.56 49.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.054 -0.404 . . . . 25.0 111.446 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.71 13.75 78.18 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 121.001 -0.618 . . . . 25.0 114.116 175.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.41 148.28 63.47 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -63.39 135.31 49.26 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 116.397 -1.935 . . . . 25.0 113.947 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.31 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.729 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.94 -21.67 66.44 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.163 -0.471 . . . . 25.0 112.258 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.86 9.92 40.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 25.0 109.786 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.7 m -134.43 155.32 50.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.857 1.428 . . . . 25.0 114.857 -171.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -113.26 143.27 44.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -123.84 132.81 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.97 152.98 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.538 0.685 . . . . 25.0 111.666 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -141.44 137.01 31.89 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.196 -2.15 . . . . 25.0 105.196 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.68 43.31 24.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.367 0.417 . . . . 25.0 111.406 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 57.63 23.87 9.85 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -132.39 148.18 68.66 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.06 153.33 52.06 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 116.493 -1.871 . . . . 25.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.413 ' HB3' HD11 ' A' ' 127' ' ' LEU . 43.6 mt -103.59 116.1 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 175.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.4 p -130.15 -37.65 1.45 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 117.089 2.255 . . . . 25.0 117.089 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -83.54 109.34 17.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 -168.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -68.61 -17.1 64.05 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.869 -0.519 . . . . 25.0 109.807 173.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -75.07 5.39 5.34 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.649 0.78 . . . . 25.0 111.307 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -126.69 140.27 52.52 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.175 0.512 . . . . 25.0 109.686 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -80.76 165.02 22.31 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.905 -1.517 . . . . 25.0 106.905 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.58 -33.07 75.06 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.819 -0.551 . . . . 25.0 111.28 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.14 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.948 -0.47 . . . . 25.0 110.35 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.6 m -70.98 -16.5 62.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.626 -0.261 . . . . 25.0 111.203 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -97.5 -4.05 38.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.841 -0.429 . . . . 25.0 109.841 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.99 16.86 60.38 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-O 119.632 -0.538 . . . . 25.0 114.205 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.1 86.57 0.75 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.029 0.915 . . . . 25.0 111.326 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 157.14 37.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.402 -0.817 . . . . 25.0 111.286 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -59.47 130.04 44.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.624 0.726 . . . . 25.0 109.386 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.69 -10.78 70.52 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.097 -0.956 . . . . 25.0 113.733 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.04 161.86 29.61 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 118.144 0.972 . . . . 25.0 111.358 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.03 129.46 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -171.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.17 141.72 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 92.1 mt -116.97 131.27 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.1 tt -123.78 140.71 52.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -132.88 124.33 27.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.666 0.269 . . . . 25.0 110.935 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 122.953 1.359 . . . . 25.0 110.19 175.405 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 124.482 2.087 . . . . 25.0 113.121 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.92 -168.46 52.26 Favored Glycine 0 C--O 1.223 -0.537 0 CA-C-N 113.231 -1.804 . . . . 25.0 112.684 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -122.56 46.78 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -68.4 138.31 55.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.296 -0.865 . . . . 25.0 111.576 -175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -127.82 69.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.655 0.74 . . . . 25.0 109.889 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -154.14 168.09 27.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -137.67 156.46 48.0 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.256 -1.386 . . . . 25.0 107.256 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -141.34 132.85 26.92 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.439 -0.208 . . . . 25.0 110.439 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -157.43 72.1 0.67 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -82.0 64.04 6.5 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.497 0.665 . . . . 25.0 111.678 -176.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -132.38 135.59 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -76.31 141.18 41.68 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.6 p -78.75 -27.77 44.78 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.871 0.322 . . . . 25.0 111.871 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.0 p -164.33 177.66 8.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.701 -1.222 . . . . 25.0 107.701 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.39 155.74 27.14 Favored Glycine 0 N--CA 1.452 -0.247 0 N-CA-C 106.24 -2.744 . . . . 25.0 106.24 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -82.21 139.46 34.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.195 0.998 . . . . 25.0 108.873 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.73 166.86 27.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -126.17 149.35 49.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.76 -175.43 37.46 Favored Glycine 0 C--O 1.224 -0.507 0 N-CA-C 108.81 -1.716 . . . . 25.0 108.81 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.09 157.97 41.2 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.509 -0.922 . . . . 25.0 108.509 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -167.15 177.31 6.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 101.514 -3.514 . . . . 25.0 101.514 173.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -136.53 159.85 40.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.2 tp -116.86 131.09 57.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -121.77 157.84 30.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.7 m -109.26 138.61 45.35 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.04 125.93 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -111.57 124.53 52.48 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.089 -1.819 . . . . 25.0 106.089 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.5 m -111.35 116.58 31.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.45 129.86 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.226 -0.443 . . . . 25.0 110.471 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.405 ' HD2' ' HB2' ' A' ' 113' ' ' SER . 93.4 mtt180 -114.34 149.97 35.25 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -61.05 -28.02 68.76 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.89 20.31 4.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.983 -0.553 . . . . 25.0 112.018 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.91 23.01 7.72 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.405 ' HB2' ' HD2' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -83.89 26.1 0.75 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.487 1.115 . . . . 25.0 111.305 176.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -72.38 152.84 41.78 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.628 -1.169 . . . . 25.0 112.353 -168.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.2 160.48 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 -172.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -138.81 150.75 46.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -157.61 174.23 15.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -123.5 151.45 42.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -133.59 145.76 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 25.0 110.749 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -102.32 131.99 48.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 m -146.08 166.08 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.89 166.22 15.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.986 -1.487 . . . . 25.0 106.986 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.83 95.92 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.883 -0.511 . . . . 25.0 110.38 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -91.21 16.83 9.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.623 0.725 . . . . 25.0 112.427 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.19 131.7 46.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -66.72 150.88 48.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.69 0.281 . . . . 25.0 111.504 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -62.75 -37.35 86.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 172.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.43 -34.11 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.264 0.554 . . . . 25.0 110.933 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.34 -40.45 51.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.35 -43.71 98.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -27.87 68.0 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.813 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.88 -37.24 64.78 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.44 -45.62 90.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.365 . . . . 25.0 110.892 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.0 p -72.19 -25.39 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.597 -0.841 . . . . 25.0 111.198 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.43 -42.38 96.05 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -44.91 91.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 25.0 111.779 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -68.58 -35.27 77.14 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.0 p -92.52 -17.97 23.77 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.75 32.97 79.1 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.913 -0.66 . . . . 25.0 114.495 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.0 157.78 42.47 Favored Pre-proline 0 N--CA 1.469 0.487 0 CA-C-N 117.247 0.523 . . . . 25.0 110.661 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.97 113.99 3.84 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 114.508 -3.195 . . . . 25.0 108.954 165.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.37 -22.98 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.287 -0.883 . . . . 25.0 110.805 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.28 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.609 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -97.58 15.11 24.32 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.904 0.383 . . . . 25.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.6 p -135.43 166.89 22.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.545 0.688 . . . . 25.0 112.315 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -133.48 151.98 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 105.874 -1.899 . . . . 25.0 105.874 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.521 HG23 ' HB2' ' A' ' 154' ' ' LEU . 9.4 tt -124.1 133.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 -177.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.0 t -124.62 137.64 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.642 -0.708 . . . . 25.0 111.364 -168.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -137.94 140.36 40.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.5 43.16 27.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.123 0.487 . . . . 25.0 110.833 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 61.72 5.76 1.4 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.872 1.804 . . . . 25.0 115.872 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -117.98 144.37 34.54 Favored Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 121.694 -0.629 . . . . 25.0 110.826 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.67 146.5 49.01 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 116.071 -2.153 . . . . 25.0 112.58 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' A' ' 147' ' ' ILE . 14.0 mt -92.72 83.66 4.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.917 -1.038 . . . . 25.0 109.02 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.2 p -104.43 -18.31 14.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.55 80.66 7.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.376 -0.972 . . . . 25.0 108.376 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -67.71 -12.55 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 -170.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.578 0.704 . . . . 25.0 109.861 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -75.58 148.61 38.71 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.274 0.559 . . . . 25.0 111.896 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 64.6 p -81.53 163.06 22.94 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 171.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.59 -30.04 70.72 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 121.15 0.5 . . . . 25.0 111.508 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.06 -30.21 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.432 -0.349 . . . . 25.0 111.117 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.1 t -69.86 -16.56 63.27 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.118 -0.364 . . . . 25.0 111.587 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -101.47 -6.84 23.45 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.37 27.8 46.75 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 119.36 -0.689 . . . . 25.0 113.027 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.38 86.42 0.42 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.108 0.954 . . . . 25.0 110.267 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -71.95 158.61 35.7 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.22 -0.9 . . . . 25.0 109.0 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -59.53 132.41 53.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.8 -13.67 65.9 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.452 -0.794 . . . . 25.0 113.801 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -64.99 149.38 49.92 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 118.202 1.001 . . . . 25.0 109.637 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.5 136.28 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.787 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 29.0 m -113.6 149.97 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 61.6 mt -117.13 105.92 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 tt -86.28 136.2 33.25 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.869 -1.9 . . . . 25.0 105.869 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -127.82 117.67 22.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.206 -1.219 0 CA-C-O 124.775 2.226 . . . . 25.0 110.41 178.193 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 122.535 1.159 . . . . 25.0 113.337 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.13 166.6 26.65 Favored Glycine 0 C--N 1.337 0.635 0 N-CA-C 106.83 -2.508 . . . . 25.0 106.83 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -130.2 132.67 46.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.997 0.899 . . . . 25.0 110.35 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -132.45 11.67 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -129.29 146.31 51.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -135.86 160.34 38.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.271 . . . . 25.0 111.108 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -87.27 149.51 24.51 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.495 -0.928 . . . . 25.0 108.495 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -131.56 177.01 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 14.5 m80 59.73 38.69 21.59 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.354 0.661 . . . . 25.0 112.608 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -130.03 134.49 47.44 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -152.09 142.59 22.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.992 -0.744 . . . . 25.0 108.992 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -151.1 130.56 12.93 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.8 m -146.15 159.67 42.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.4 t -154.03 155.43 35.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.339 -1.726 . . . . 25.0 106.339 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.89 82.65 0.07 OUTLIER Glycine 0 C--O 1.223 -0.554 0 N-CA-C 111.294 -0.723 . . . . 25.0 111.294 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -84.5 144.6 28.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 84.8 mt -132.29 128.76 59.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 105.28 -2.119 . . . . 25.0 105.28 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -146.79 161.31 40.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.02 -173.89 31.13 Favored Glycine 0 C--O 1.228 -0.266 0 N-CA-C 110.154 -1.178 . . . . 25.0 110.154 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -90.93 137.59 32.25 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -145.26 170.06 17.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 48.6 mtm -98.94 160.05 14.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.17 124.75 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.91 154.06 36.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.7 m -106.28 135.67 47.35 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.0 127.57 75.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.623 -1.251 . . . . 25.0 107.623 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.86 110.33 20.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.0 t -97.52 119.11 35.49 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.7 t -105.88 123.85 60.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 120.926 0.393 . . . . 25.0 111.214 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -107.32 144.03 34.75 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -63.74 -19.3 64.85 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -91.91 22.93 3.93 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 123.55 0.74 . . . . 25.0 111.441 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt 55.59 23.43 6.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.395 1.078 . . . . 25.0 113.484 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.53 25.65 2.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.932 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.25 149.46 44.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.8 -1.091 . . . . 25.0 111.013 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.16 156.9 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -133.3 148.58 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.77 168.36 25.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.2 m -115.33 146.2 41.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.97 142.66 50.58 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -101.67 127.36 48.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.102 -1.444 . . . . 25.0 107.102 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -140.67 160.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.01 166.26 22.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.81 99.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 25.0 110.553 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -98.7 19.52 14.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.633 0.73 . . . . 25.0 111.51 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -60.74 133.1 55.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.6 . . . . 25.0 110.795 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.81 145.89 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -61.79 -37.0 82.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 173.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -57.55 -47.98 80.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.528 . . . . 25.0 110.604 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.0 -29.78 64.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.09 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.723 -0.61 . . . . 25.0 111.328 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -64.87 -41.73 95.42 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.14 93.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.364 -0.834 . . . . 25.0 110.812 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.61 -45.82 88.57 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.085 -0.384 . . . . 25.0 111.36 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.4 p -70.99 -25.46 62.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.447 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.77 -46.68 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.49 -45.4 83.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 25.0 112.282 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.63 -32.29 72.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.187 0.518 . . . . 25.0 111.829 -176.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.4 t -88.37 -25.56 22.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.99 32.7 58.4 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.981 -0.628 . . . . 25.0 114.207 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.3 pt -128.6 151.78 77.48 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 122.489 -0.418 . . . . 25.0 109.901 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -68.15 133.69 29.43 Favored 'Trans proline' 0 C--O 1.24 0.6 0 C-N-CA 116.827 -1.648 . . . . 25.0 113.48 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.74 67.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.96 -0.462 . . . . 25.0 111.082 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.26 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.951 0.405 . . . . 25.0 111.824 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.12 9.87 41.55 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.068 0.461 . . . . 25.0 110.214 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.5 m -128.26 148.31 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -170.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -128.18 146.94 50.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.381 -1.34 . . . . 25.0 107.381 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -121.34 133.36 68.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.1 t -135.54 135.48 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 123.79 0.836 . . . . 25.0 110.701 -169.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -138.39 139.01 38.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.603 -1.629 . . . . 25.0 106.603 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 41.83 28.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.124 0.488 . . . . 25.0 110.537 -175.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.61 12.66 2.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.378 1.622 . . . . 25.0 115.378 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -122.08 141.4 34.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.576 -0.703 . . . . 25.0 110.785 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.9 147.25 92.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 116.561 -1.826 . . . . 25.0 113.504 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 127' ' ' LEU . 57.6 mt -92.95 118.48 31.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 176.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.9 p -127.74 -25.15 3.15 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 117.427 2.38 . . . . 25.0 117.427 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -86.43 97.39 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.781 0.719 . . . . 25.0 110.231 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -63.88 -21.87 66.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -82.96 -20.01 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.23 0.538 . . . . 25.0 111.945 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -76.07 145.11 40.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.734 -0.386 . . . . 25.0 110.009 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.4 p -81.99 163.14 22.35 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.295 -1.002 . . . . 25.0 108.295 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.916 0.389 . . . . 25.0 111.323 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.21 71.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.258 -0.276 . . . . 25.0 110.695 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.0 m -69.47 -16.52 63.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.87 0.322 . . . . 25.0 111.87 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -99.97 -8.08 24.36 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.022 0.439 . . . . 25.0 109.92 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.39 19.46 56.87 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-O 119.074 -0.848 . . . . 25.0 113.694 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.94 83.4 1.23 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.332 1.066 . . . . 25.0 109.72 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.57 162.01 27.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.365 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -57.25 130.25 45.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.88 60.93 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.49 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -72.78 161.76 30.33 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 118.593 1.197 . . . . 25.0 111.288 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 31.0 t -123.11 131.01 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.403 0.62 . . . . 25.0 111.703 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.61 137.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.74 127.21 60.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.3 tt -114.69 133.97 55.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 105.478 -2.045 . . . . 25.0 105.478 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -126.98 121.1 30.74 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.95 -0.469 . . . . 25.0 109.843 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 123.847 1.784 . . . . 25.0 110.802 179.652 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.807 0.813 . . . . 25.0 112.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.54 18.01 71.96 Favored Glycine 0 C--N 1.341 0.856 0 O-C-N 121.59 -0.693 . . . . 25.0 113.099 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -114.64 139.48 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -116.68 67.79 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.359 0.6 . . . . 25.0 112.18 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -104.67 132.74 50.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 176.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -126.69 133.04 51.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -140.54 77.85 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.942 0.401 . . . . 25.0 110.71 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -71.18 -46.92 60.33 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 120.942 -0.303 . . . . 25.0 111.753 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 52.72 50.01 19.04 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 50.4 m80 63.61 -153.24 0.32 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.072 0.949 . . . . 25.0 110.625 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -159.29 178.81 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -134.3 163.62 29.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 104.892 -2.262 . . . . 25.0 104.892 172.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 p -146.13 -61.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.98 0.175 . . . . 25.0 110.577 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.1 m 60.82 -176.18 0.11 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.813 0.845 . . . . 25.0 111.137 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.64 11.94 80.5 Favored Glycine 0 C--O 1.223 -0.59 0 C-N-CA 120.789 -0.719 . . . . 25.0 113.591 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -80.12 76.58 6.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.163 0.506 . . . . 25.0 110.015 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.6 pt -137.81 165.12 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.15 -1.056 . . . . 25.0 108.15 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.63 162.48 37.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 104.318 -2.475 . . . . 25.0 104.318 175.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.76 23.48 0.07 OUTLIER Glycine 0 C--O 1.226 -0.388 0 C-N-CA 121.184 -0.531 . . . . 25.0 113.853 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -112.39 16.35 19.95 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.754 0.777 . . . . 25.0 111.443 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -120.02 161.68 20.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -133.36 163.8 28.52 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -110.44 120.92 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 25.0 111.075 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.85 144.04 43.68 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.59 137.22 34.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.08 128.58 73.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -121.07 107.29 12.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.0 132.82 44.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.806 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 134.7 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.283 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -113.5 154.83 26.42 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 171.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -62.9 -32.17 73.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.92 0.391 . . . . 25.0 109.984 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.24 18.35 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.606 1.162 . . . . 25.0 113.942 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.0 mt 59.46 26.67 15.66 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.68 25.69 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.418 0.628 . . . . 25.0 110.645 175.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.34 152.35 42.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.039 -0.982 . . . . 25.0 113.492 -171.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 p -151.84 152.78 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.562 -1.273 . . . . 25.0 107.562 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -135.21 141.88 45.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -155.96 -177.82 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.9 m -134.23 151.77 51.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.275 -0.265 . . . . 25.0 110.524 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.69 146.86 50.43 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.117 0.567 . . . . 25.0 110.275 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -105.94 121.82 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.48 164.51 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 122.831 0.452 . . . . 25.0 110.24 -173.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.24 157.96 32.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.18 70.7 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.531 -0.731 . . . . 25.0 109.539 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.75 4.6 46.88 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.714 -0.676 . . . . 25.0 112.466 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.23 131.23 48.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.01 150.52 47.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.33 -29.28 70.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.841 -0.344 . . . . 25.0 110.523 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.21 -39.7 93.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.544 . . . . 25.0 110.536 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.63 -36.3 57.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.769 0.795 . . . . 25.0 109.171 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -61.34 -45.59 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.95 -0.469 . . . . 25.0 111.752 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -66.47 -27.93 68.18 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.338 -0.545 . . . . 25.0 110.81 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.34 74.55 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.39 -37.37 85.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.99 -0.444 . . . . 25.0 109.947 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 73.5 m -63.98 -40.67 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.262 -0.273 . . . . 25.0 110.262 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.63 -40.15 93.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.96 -0.385 . . . . 25.0 109.96 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.96 -45.98 91.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.71 -35.64 67.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.075 0.464 . . . . 25.0 112.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.0 m -88.59 -25.5 22.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.746 1.387 . . . . 25.0 114.746 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.73 32.77 85.31 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.011 -0.614 . . . . 25.0 113.311 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.83 146.29 34.78 Favored Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 122.288 -0.537 . . . . 25.0 111.869 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.42 122.36 9.13 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 116.862 -1.625 . . . . 25.0 112.152 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.18 72.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 25.0 111.392 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.51 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -103.8 15.98 27.45 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.078 0.466 . . . . 25.0 110.658 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.8 p -133.66 163.27 29.82 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.881 1.437 . . . . 25.0 114.881 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -132.79 153.68 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -124.14 132.21 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.7 t -134.14 136.52 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.805 0.842 . . . . 25.0 110.71 -168.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -140.79 143.63 34.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.04 40.05 27.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.416 0.627 . . . . 25.0 110.732 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 58.24 17.66 4.8 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.002 1.482 . . . . 25.0 115.002 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -128.47 143.82 49.72 Favored Pre-proline 0 N--CA 1.468 0.459 0 O-C-N 121.755 -0.59 . . . . 25.0 110.699 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -71.61 145.67 47.42 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 116.332 -1.979 . . . . 25.0 112.319 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.4 mt -88.42 78.78 7.85 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 53.7 p -76.3 -29.74 57.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -172.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -94.69 101.62 13.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -84.88 -9.6 57.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -79.84 -16.78 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.593 0.711 . . . . 25.0 110.295 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 23.0 mtt85 -74.1 148.43 41.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.743 -0.662 . . . . 25.0 109.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -79.97 164.74 23.25 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.78 -38.89 86.84 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 121.267 0.556 . . . . 25.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.16 -30.24 66.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.017 -0.538 . . . . 25.0 112.251 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.7 t -70.98 -17.99 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -101.05 -6.33 24.54 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.646 -0.501 . . . . 25.0 109.646 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.88 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.6 83.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -88.66 172.13 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.268 -0.878 . . . . 25.0 112.499 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 128.22 32.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.942 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.5 -15.81 58.38 Favored Glycine 0 CA--C 1.516 0.152 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.316 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.97 155.98 38.27 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 118.472 1.136 . . . . 25.0 111.076 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 43.1 t -118.09 127.66 75.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.374 -0.83 . . . . 25.0 109.541 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.2 t -108.76 133.03 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.86 125.86 64.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.3 tt -113.44 138.23 50.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.75 122.98 38.99 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 123.294 1.521 . . . . 25.0 110.653 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 124.932 2.301 . . . . 25.0 112.426 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.35 165.7 14.17 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 112.847 -1.979 . . . . 25.0 111.105 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -162.01 163.08 29.06 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -152.03 138.8 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.055 -0.35 . . . . 25.0 110.055 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -156.71 139.45 15.13 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -151.82 152.24 32.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -157.15 131.98 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -142.16 156.93 45.37 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.252 -0.648 . . . . 25.0 109.252 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -152.22 137.66 17.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.256 -1.387 . . . . 25.0 107.256 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -81.59 -31.57 32.47 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 52.78 61.39 3.21 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -66.32 149.94 49.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.2 t -149.58 143.14 25.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.6 m -147.59 162.51 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.0 -158.39 14.31 Favored Glycine 0 C--O 1.225 -0.417 0 N-CA-C 109.774 -1.33 . . . . 25.0 109.774 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 56.52 56.94 5.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 pt -131.01 160.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -108.97 162.02 14.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.12 178.84 41.63 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 108.96 -1.656 . . . . 25.0 108.96 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -140.26 117.05 10.96 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -141.24 176.68 8.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 105.514 -2.032 . . . . 25.0 105.514 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -126.32 172.88 9.75 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.1 tp -125.51 130.46 51.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.194 -0.669 . . . . 25.0 109.194 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -119.43 158.74 25.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -110.88 142.56 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.05 132.32 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -119.48 111.37 18.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.185 -1.042 . . . . 25.0 108.185 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.5 t -97.4 122.68 40.73 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.22 -1.03 . . . . 25.0 108.22 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.47 124.36 67.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-O 121.29 0.567 . . . . 25.0 111.62 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -105.42 147.1 28.62 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 105.915 -1.883 . . . . 25.0 105.915 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 -70.76 -19.55 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.774 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -92.22 27.46 2.19 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.152 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.3 mt 55.22 34.76 23.41 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 122.305 1.05 . . . . 25.0 112.967 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 25.76 10.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.504 -1.225 . . . . 25.0 111.429 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 -72.23 154.25 41.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.945 0.878 . . . . 25.0 112.608 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.26 152.44 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.478 -1.675 . . . . 25.0 106.478 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.0 t -136.65 146.63 46.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -156.43 173.66 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.0 m -121.13 150.96 40.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -129.1 142.21 50.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.269 -0.423 . . . . 25.0 109.872 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -100.65 127.04 47.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.19 161.11 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -77.37 161.31 28.13 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.53 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.475 0.655 . . . . 25.0 109.998 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.0 15.68 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.616 0.722 . . . . 25.0 111.631 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.88 132.03 46.08 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 147.13 53.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.695 0.283 . . . . 25.0 111.275 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 154' ' ' LEU . 1.4 mm? -63.46 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.649 0.261 . . . . 25.0 110.789 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.892 0.377 . . . . 25.0 110.67 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -77.9 -32.44 51.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.599 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.34 -47.93 83.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.808 -0.558 . . . . 25.0 110.941 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -65.72 -27.86 68.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.396 -0.522 . . . . 25.0 111.579 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.54 74.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.092 0.472 . . . . 25.0 109.977 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.12 -38.6 88.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.65 -37.96 89.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.396 -0.366 . . . . 25.0 111.075 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.4 -50.36 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.674 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.11 -33.74 70.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.1 t -89.17 -18.22 27.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.68 32.97 82.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 115.477 0.951 . . . . 25.0 115.477 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.6 pt -134.43 147.52 63.82 Favored Pre-proline 0 N--CA 1.469 0.504 0 CA-C-N 117.177 0.488 . . . . 25.0 110.769 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.61 119.53 6.65 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.217 -1.389 . . . . 25.0 112.524 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.47 -26.5 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.92 0.39 . . . . 25.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.37 67.86 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.055 -0.52 . . . . 25.0 112.246 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -98.13 14.83 26.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.91 0.386 . . . . 25.0 110.978 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.7 p -134.23 165.8 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -131.13 148.91 52.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 tt -121.69 136.49 58.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.571 0.701 . . . . 25.0 109.917 -176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.8 p -139.72 143.96 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -141.17 134.79 30.07 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 45.29 24.6 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 123.472 0.483 . . . . 25.0 110.093 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 60.21 6.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.747 1.758 . . . . 25.0 115.747 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -116.05 133.31 22.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.99 149.25 46.54 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.875 -1.617 . . . . 25.0 113.855 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 127' ' ' LEU . 75.8 mt -100.59 53.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -25.09 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.47 89.18 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.191 0.996 . . . . 25.0 108.432 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -70.9 -13.33 61.98 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -81.31 -14.71 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 25.0 111.415 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -76.89 152.92 35.19 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 120.834 0.349 . . . . 25.0 110.351 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 12.0 m -80.7 162.81 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.92 -38.3 87.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.45 0.643 . . . . 25.0 109.797 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.08 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.934 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m -69.37 -17.24 63.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -101.75 -3.97 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 25.0 110.061 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.35 21.58 72.58 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.516 -0.634 . . . . 25.0 111.516 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.59 82.57 2.02 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 121.419 0.628 . . . . 25.0 109.504 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.16 171.05 14.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.948 -1.024 . . . . 25.0 111.371 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.69 129.59 37.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.141 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.56 -12.23 66.34 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 114.816 -1.084 . . . . 25.0 113.756 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -68.96 151.15 46.9 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 118.399 1.1 . . . . 25.0 110.499 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.68 129.31 72.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.421 -0.809 . . . . 25.0 109.531 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.07 154.97 7.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.3 mt -122.32 127.41 75.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -117.0 136.12 53.18 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -120.71 120.36 35.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.196 -0.298 . . . . 25.0 110.196 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--O 1.208 -1.122 0 CA-C-O 124.419 2.057 . . . . 25.0 111.236 179.281 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.506 2.333 0 CA-C-O 124.018 1.866 . . . . 25.0 114.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.76 159.16 29.66 Favored Glycine 0 CA--C 1.536 1.364 0 O-C-N 118.462 -2.649 . . . . 25.0 112.042 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -150.5 139.66 21.17 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.81 1.805 . . . . 25.0 110.975 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -146.73 145.63 30.04 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -152.37 139.01 18.75 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 119.826 -0.75 . . . . 25.0 109.022 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -161.15 61.71 0.28 Allowed 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 105.753 -1.943 . . . . 25.0 105.753 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -66.09 153.43 42.33 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.823 -1.173 . . . . 25.0 112.8 -173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -91.08 145.06 25.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 107.748 -1.205 . . . . 25.0 107.748 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -123.79 141.96 51.55 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.73 88.47 2.06 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.87 1.214 . . . . 25.0 112.254 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -129.94 147.39 51.69 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 103.567 -2.753 . . . . 25.0 103.567 173.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -75.06 -42.51 56.81 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 124.653 1.221 . . . . 25.0 114.162 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m 61.43 173.02 0.11 Allowed 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 116.035 1.865 . . . . 25.0 116.035 171.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t 51.07 -164.66 0.05 OUTLIER 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 113.623 -1.626 . . . . 25.0 113.037 -175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -107.35 -167.82 22.01 Favored Glycine 0 C--O 1.203 -1.815 0 N-CA-C 109.737 -1.345 . . . . 25.0 109.737 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -141.59 108.38 5.39 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 118.425 -0.798 . . . . 25.0 110.182 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.7 mm 58.73 60.92 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.623 0 O-C-N 125.973 2.046 . . . . 25.0 114.064 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -132.19 146.78 52.25 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.18 -159.8 32.34 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 109.827 -1.309 . . . . 25.0 109.827 -172.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -100.59 107.64 19.36 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 123.573 1.654 . . . . 25.0 109.2 174.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -136.79 159.66 41.19 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 113.567 -1.651 . . . . 25.0 109.43 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -142.93 156.89 44.97 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -110.46 125.85 53.72 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.34 158.39 24.49 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 m -108.77 134.54 51.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.394 -0.821 . . . . 25.0 109.249 173.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.3 t -122.58 122.45 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.946 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.06 119.01 38.22 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.6 m -105.7 127.14 52.89 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 120.052 -1.655 . . . . 25.0 107.261 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.8 t -117.19 138.33 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.927 0.767 . . . . 25.0 112.028 -173.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -123.0 152.4 40.93 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.82 -31.21 71.43 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.29 25.94 1.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.622 . . . . 25.0 109.348 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 114' ' ' GLU . 50.9 mt 57.86 24.87 11.36 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.54 23.55 0.4 Allowed 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.052 0.941 . . . . 25.0 108.586 176.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 112' ' ' LEU . 10.8 pt-20 -71.56 155.12 40.91 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 126.132 1.773 . . . . 25.0 112.92 -171.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.91 140.73 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 106.061 -1.829 . . . . 25.0 106.061 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -124.28 147.77 47.87 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 175.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -155.26 175.19 14.17 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 m -120.99 147.55 45.34 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.3 mt -124.08 148.43 47.11 Favored 'General case' 0 CA--C 1.472 -2.024 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -98.48 130.88 45.08 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 106.256 -1.757 . . . . 25.0 106.256 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.98 161.52 35.65 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-O 121.742 0.782 . . . . 25.0 112.412 174.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -83.36 161.41 21.39 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.41 -32.79 74.56 Favored 'General case' 0 C--O 1.199 -1.56 0 O-C-N 121.543 -0.723 . . . . 25.0 111.243 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.36 17.82 10.7 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.645 0.778 . . . . 25.0 112.659 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -75.45 134.5 40.84 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 120.147 -0.621 . . . . 25.0 110.175 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -75.91 156.32 34.37 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.446 1.593 . . . . 25.0 111.695 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.46 -28.99 67.53 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -64.34 -47.67 78.49 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.687 1.867 . . . . 25.0 111.564 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -70.45 -37.34 74.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.584 -1.189 . . . . 25.0 107.812 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.29 -49.61 76.94 Favored 'General case' 0 C--O 1.203 -1.369 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -62.75 -28.89 70.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.687 -1.149 . . . . 25.0 111.873 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.14 74.66 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -66.7 -40.39 88.45 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 114.935 -1.03 . . . . 25.0 112.841 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.0 p -74.29 -27.31 60.67 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 120.304 -1.497 . . . . 25.0 111.424 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.48 -43.16 86.16 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.18 -46.6 88.22 Favored 'General case' 0 CA--C 1.482 -1.672 0 C-N-CA 123.761 0.824 . . . . 25.0 111.317 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.98 -39.76 87.26 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.27 0.557 . . . . 25.0 112.428 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.5 t -88.42 -18.71 27.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.14 32.32 58.54 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 116.426 1.33 . . . . 25.0 116.426 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.0 pt -104.66 153.97 38.84 Favored Pre-proline 0 N--CA 1.492 1.64 0 N-CA-C 116.717 2.118 . . . . 25.0 116.717 -170.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.93 122.5 9.62 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 115.928 -2.248 . . . . 25.0 110.093 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.19 -26.59 68.43 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.771 -0.58 . . . . 25.0 112.111 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.44 52.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -101.2 18.49 19.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.762 1.289 . . . . 25.0 111.275 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 m -137.95 160.41 39.39 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-O 123.598 1.666 . . . . 25.0 112.901 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -132.8 153.34 51.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 126.346 1.858 . . . . 25.0 106.36 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -128.93 133.63 65.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 O-C-N 121.566 -0.709 . . . . 25.0 110.039 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.6 t -135.96 140.09 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.166 0.986 . . . . 25.0 110.556 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.49 141.96 41.51 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.62 37.91 21.15 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.575 1.179 . . . . 25.0 110.991 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.14 5.11 2.85 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -112.37 142.77 27.58 Favored Pre-proline 0 C--O 1.255 1.345 0 O-C-N 121.068 -1.02 . . . . 25.0 109.42 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.47 144.7 56.45 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.452 0.768 . . . . 25.0 112.53 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.09 94.97 7.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.663 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.7 p -110.96 -30.79 7.37 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 116.879 2.178 . . . . 25.0 116.879 -172.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.03 88.16 5.39 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -66.8 -16.47 64.29 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 116.102 1.89 . . . . 25.0 116.102 -172.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -83.47 -18.42 38.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.256 1.503 . . . . 25.0 114.892 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -74.01 148.18 42.26 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.029 -1.441 . . . . 25.0 111.016 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 51.1 m -77.75 151.04 34.28 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 113.799 -1.546 . . . . 25.0 109.083 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.97 -34.91 79.19 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.795 0.807 . . . . 25.0 111.617 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.02 -27.06 65.09 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.736 -1.12 . . . . 25.0 110.204 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -16.42 60.31 Favored 'General case' 0 CA--C 1.553 1.095 0 O-C-N 121.455 -0.778 . . . . 25.0 111.547 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.47 -2.01 57.91 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.712 -0.618 . . . . 25.0 109.904 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 71.26 22.39 78.54 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 110.141 -1.184 . . . . 25.0 110.141 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.05 92.13 0.93 Allowed 'General case' 0 C--O 1.248 1.023 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -99.03 168.62 9.97 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.112 1.507 . . . . 25.0 111.183 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.82 119.57 4.76 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.477 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 105.83 -5.81 40.24 Favored Glycine 0 C--O 1.207 -1.592 0 CA-C-N 115.956 -0.566 . . . . 25.0 113.676 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -74.41 150.44 39.99 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 125.405 2.526 . . . . 25.0 111.256 173.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.3 128.05 72.65 Favored 'Isoleucine or valine' 0 C--O 1.256 1.435 0 CA-C-N 113.0 -1.909 . . . . 25.0 108.643 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.7 t -111.21 130.36 64.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 106.065 -1.828 . . . . 25.0 106.065 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.23 129.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 122.102 0.954 . . . . 25.0 108.61 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.23 136.84 52.78 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 105.558 -2.016 . . . . 25.0 105.558 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -119.42 108.97 15.21 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.827 0.822 . . . . 25.0 109.203 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 122.233 1.016 . . . . 25.0 109.375 177.659 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 124.687 2.184 . . . . 25.0 112.686 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.26 168.58 41.35 Favored Glycine 0 C--N 1.333 0.417 0 CA-C-N 113.514 -1.675 . . . . 25.0 110.333 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.09 137.89 31.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.975 0.388 . . . . 25.0 110.209 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -70.82 140.51 51.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -81.68 172.39 13.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.652 -0.249 . . . . 25.0 110.756 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -138.33 147.36 43.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -74.83 173.57 10.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.972 0.415 . . . . 25.0 111.152 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -117.91 142.57 47.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.463 -1.68 . . . . 25.0 106.463 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -75.38 162.07 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.842 0.353 . . . . 25.0 110.428 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -68.51 -44.06 75.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.486 1.291 . . . . 25.0 114.486 -173.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 m80 53.52 22.41 2.94 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -66.08 -27.73 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.304 0.854 . . . . 25.0 113.304 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m 61.67 -178.09 0.12 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.7 m -156.31 167.11 31.45 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.23 -173.14 39.37 Favored Glycine 0 C--O 1.228 -0.251 0 N-CA-C 109.638 -1.385 . . . . 25.0 109.638 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -146.3 159.48 43.3 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.229 -1.397 . . . . 25.0 107.229 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.1 pt -121.82 -1.58 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.19 0.811 . . . . 25.0 113.19 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 53.14 -145.37 0.59 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.057 0.543 . . . . 25.0 111.379 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.97 -176.57 17.62 Favored Glycine 0 C--O 1.222 -0.618 0 C-N-CA 121.61 -0.329 . . . . 25.0 112.287 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -84.99 42.78 0.95 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -110.17 160.31 16.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.352 -1.722 . . . . 25.0 106.352 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.9 167.31 30.14 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.271 0.357 . . . . 25.0 110.092 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.0 tp -109.01 133.12 53.41 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.225 0.61 . . . . 25.0 109.637 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.8 mt -122.93 146.08 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.2 m -104.88 135.49 46.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.226 -1.028 . . . . 25.0 108.226 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.0 129.17 73.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.23 122.26 46.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.42 116.61 32.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.16 116.66 45.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.662 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -92.73 146.3 23.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -61.68 -29.6 70.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.497 0.665 . . . . 25.0 110.345 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.31 13.75 4.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.787 -1.097 . . . . 25.0 113.167 -176.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.0 mt 58.66 27.89 16.45 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 122.293 1.044 . . . . 25.0 112.141 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 m -90.33 25.71 2.15 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.575 -1.193 . . . . 25.0 109.728 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.39 155.54 40.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.067 -0.969 . . . . 25.0 112.919 -166.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.43 157.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -140.3 150.17 43.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 174.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -157.85 174.42 15.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 -176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.49 149.0 52.36 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.93 147.15 49.57 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.851 -0.425 . . . . 25.0 109.851 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -104.75 124.45 49.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.343 -1.355 . . . . 25.0 107.343 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.9 m -143.0 165.39 15.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.947 -0.569 . . . . 25.0 109.778 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -79.26 152.69 30.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.827 -1.546 . . . . 25.0 106.827 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.0 74.17 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.709 0.766 . . . . 25.0 109.836 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -93.08 9.93 33.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 25.0 112.385 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.39 137.92 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.59 144.14 55.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.36 -0.213 . . . . 25.0 111.279 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.5 -32.49 73.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -54.95 -48.27 73.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 25.0 111.56 175.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -77.9 -31.01 50.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.803 0.335 . . . . 25.0 111.035 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.83 -0.544 . . . . 25.0 111.59 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -66.6 -27.98 68.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.098 -0.641 . . . . 25.0 110.135 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.06 -38.8 69.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 110.182 -0.303 . . . . 25.0 110.182 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.58 -41.0 96.55 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.102 -0.499 . . . . 25.0 110.758 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.87 -44.62 96.44 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.835 0.454 . . . . 25.0 109.874 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.65 -47.28 76.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -71.29 -35.82 71.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 25.0 111.63 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.2 t -82.12 -29.79 31.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.348 . . . . 25.0 111.889 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.11 83.84 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.728 -0.749 . . . . 25.0 113.582 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 29.4 pt -124.05 140.24 34.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -63.37 134.01 43.02 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 116.942 -1.572 . . . . 25.0 115.324 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.91 68.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.44 -24.69 66.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.868 -0.605 . . . . 25.0 112.436 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.3 10.25 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.901 0.382 . . . . 25.0 111.161 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.0 p -142.56 173.49 11.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.152 0.501 . . . . 25.0 111.797 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -127.47 135.9 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -102.07 132.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.1 t -135.96 136.18 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.118 0.567 . . . . 25.0 111.241 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -143.86 143.44 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.58 42.09 29.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.202 0.601 . . . . 25.0 111.212 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 59.31 16.95 5.4 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.682 1.364 . . . . 25.0 114.682 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -126.49 136.96 29.42 Favored Pre-proline 0 N--CA 1.467 0.416 0 O-C-N 121.835 -0.541 . . . . 25.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.22 146.27 45.53 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 115.532 -2.512 . . . . 25.0 111.473 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 72.8 mt -93.1 81.91 4.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.3 p -97.87 -19.76 17.92 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.75 1.018 . . . . 25.0 113.75 -173.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -85.57 97.32 10.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -73.83 -18.41 60.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -81.51 -13.46 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 25.0 111.456 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -75.47 146.59 40.52 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 120.897 0.379 . . . . 25.0 110.71 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -81.71 165.36 21.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.19 -36.37 83.85 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.001 -0.437 . . . . 25.0 110.718 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.12 69.66 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.129 -0.357 . . . . 25.0 111.403 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.1 m -71.27 -16.55 62.48 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -97.46 -10.46 25.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.736 0.303 . . . . 25.0 110.316 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.34 20.41 60.49 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 111.247 -0.741 . . . . 25.0 111.247 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.34 83.81 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.29 167.44 18.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.923 -1.035 . . . . 25.0 111.994 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.1 128.11 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.624 -0.717 . . . . 25.0 110.664 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.69 -10.73 68.63 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.577 -0.738 . . . . 25.0 114.364 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.26 149.53 50.2 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 118.312 1.056 . . . . 25.0 111.206 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.3 t -112.68 126.86 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.171 -0.922 . . . . 25.0 110.338 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.52 139.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.5 mt -118.08 118.42 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.37 0.605 . . . . 25.0 109.702 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 4.9 tt -101.93 138.33 39.04 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -126.95 122.37 34.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.065 -0.397 . . . . 25.0 110.981 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 124.267 1.984 . . . . 25.0 110.593 176.47 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 122.611 1.196 . . . . 25.0 113.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 150.93 171.98 19.57 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 110.517 -1.033 . . . . 25.0 110.517 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -154.42 157.26 38.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -149.73 170.18 19.31 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -140.1 110.87 6.82 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -122.83 108.67 13.27 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -140.26 118.01 11.67 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -152.38 143.0 22.79 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -137.97 -68.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 175.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 63.16 173.09 0.16 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.292 1.037 . . . . 25.0 111.202 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -136.61 -72.58 0.44 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.464 ' CG ' ' H ' ' A' ' 92' ' ' SER . 7.6 t-80 58.49 -165.2 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.252 0.621 . . . . 25.0 109.518 -175.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.464 ' H ' ' CG ' ' A' ' 91' ' ' HIS . 15.1 m 49.06 37.64 11.04 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 176.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.0 m -76.63 123.49 26.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.102 0.779 . . . . 25.0 113.102 -173.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.25 169.5 39.16 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 106.802 -2.519 . . . . 25.0 106.802 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -132.47 -6.11 3.31 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 117.913 0.857 . . . . 25.0 111.899 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.1 mt 55.01 50.42 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 122.442 1.115 . . . . 25.0 108.991 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.54 141.54 55.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.77 -1.105 . . . . 25.0 110.63 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.81 -169.74 28.58 Favored Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 109.266 -1.534 . . . . 25.0 109.266 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -146.69 105.91 3.9 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -136.87 167.73 20.91 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -123.24 163.84 19.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.4 tp -124.46 127.21 47.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.7 mt -120.77 143.44 48.81 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -97.72 143.54 28.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.672 -1.233 . . . . 25.0 107.672 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.12 125.64 69.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -112.15 108.17 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -100.29 117.52 34.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.246 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.0 t -106.02 131.33 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.907 0.384 . . . . 25.0 110.22 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -120.02 146.53 45.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 106.06 -1.829 . . . . 25.0 106.06 174.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -62.84 -23.32 67.23 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -92.25 30.22 1.51 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.056 0.455 . . . . 25.0 112.018 -176.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt 54.28 25.2 5.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.214 1.006 . . . . 25.0 112.286 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 m -92.02 25.49 2.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.094 -0.957 . . . . 25.0 109.724 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.32 154.69 40.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 25.0 111.883 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.8 p -152.6 155.62 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.5 t -137.0 147.37 46.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -155.53 175.67 13.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.758 -1.571 . . . . 25.0 106.758 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.2 m -129.42 148.81 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.45 148.6 49.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.143 -0.48 . . . . 25.0 109.915 -177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -99.29 129.4 45.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.67 166.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.367 -173.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.77 166.72 14.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 174.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.95 94.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.136 -0.353 . . . . 25.0 111.204 176.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -101.65 19.51 17.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.838 0.828 . . . . 25.0 111.657 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -59.97 128.55 37.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.632 -0.713 . . . . 25.0 109.648 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.43 142.37 57.6 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.563 -0.162 . . . . 25.0 110.563 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.07 -29.64 70.54 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.198 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -59.39 -41.67 89.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.078 0.466 . . . . 25.0 110.303 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -75.8 -40.18 55.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.264 0.554 . . . . 25.0 109.854 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.9 -47.07 88.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -67.14 -27.9 67.69 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.324 -0.55 . . . . 25.0 111.145 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -39.89 70.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.92 -39.45 94.6 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.1 m -62.82 -42.8 99.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.881 -0.327 . . . . 25.0 110.392 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.74 -41.69 98.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.735 0.302 . . . . 25.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.87 -46.1 90.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 25.0 111.745 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.63 -33.4 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.387 0.613 . . . . 25.0 111.123 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.5 m -81.86 -26.88 33.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.885 1.069 . . . . 25.0 113.885 -177.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.98 31.98 81.18 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.419 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.08 148.47 42.4 Favored Pre-proline 0 C--O 1.219 -0.535 0 O-C-N 122.401 -0.47 . . . . 25.0 110.463 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.31 125.99 11.86 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 116.455 -1.897 . . . . 25.0 112.555 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.01 -24.57 67.12 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.862 -0.524 . . . . 25.0 111.565 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.7 -25.31 66.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.727 0.299 . . . . 25.0 111.678 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -106.16 13.77 28.53 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 122.616 0.366 . . . . 25.0 110.917 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -137.74 153.75 49.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.798 1.777 . . . . 25.0 115.798 -170.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -131.87 154.39 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -128.03 137.98 55.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.63 146.28 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.798 -0.637 . . . . 25.0 109.602 -171.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.31 42.13 25.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.061 0.458 . . . . 25.0 110.836 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 60.82 10.65 2.81 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.929 1.455 . . . . 25.0 114.929 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -113.46 134.19 22.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.01 150.66 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.402 -2.599 . . . . 25.0 112.053 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.14 54.28 2.75 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -22.2 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.821 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.25 76.76 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.296 -1.372 . . . . 25.0 107.296 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -70.1 -9.42 55.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 -175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -98.33 32.29 2.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.006 0.907 . . . . 25.0 110.068 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -129.38 152.83 48.51 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.109 -1.812 . . . . 25.0 106.109 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.2 p -84.97 167.58 15.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.113 0.482 . . . . 25.0 110.083 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.16 -34.65 75.38 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.465 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.62 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.299 -0.409 . . . . 25.0 111.217 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 31.8 t -71.09 -17.27 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -99.75 -6.77 26.48 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.71 25.49 69.68 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 110.155 -1.178 . . . . 25.0 110.155 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.51 81.19 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.758 0.79 . . . . 25.0 109.361 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -76.5 160.39 29.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.408 -1.269 . . . . 25.0 112.251 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.75 121.98 9.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.032 -0.985 . . . . 25.0 108.91 171.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.24 -20.59 28.03 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.811 -0.631 . . . . 25.0 113.952 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.07 160.69 32.43 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 117.872 0.836 . . . . 25.0 111.645 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -128.1 138.6 54.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.173 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.5 m -112.14 159.2 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -120.59 129.24 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.5 tt -115.92 134.43 54.99 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 105.996 -1.853 . . . . 25.0 105.996 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.01 117.38 22.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.832 0.348 . . . . 25.0 110.719 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 123.966 1.841 . . . . 25.0 111.266 179.186 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 122.922 1.344 . . . . 25.0 113.531 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.83 172.41 44.26 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 108.301 -1.919 . . . . 25.0 108.301 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -152.95 164.36 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -139.57 173.12 11.87 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -147.82 154.65 40.73 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 104.829 -2.286 . . . . 25.0 104.829 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -137.7 171.12 14.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 -175.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -123.83 151.59 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -152.05 152.42 32.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -66.34 145.07 56.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -73.78 110.55 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.914 0.388 . . . . 25.0 110.757 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -72.27 133.22 44.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -153.07 176.89 11.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.024 -1.472 . . . . 25.0 107.024 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.5 t -144.79 158.44 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.149 -1.426 . . . . 25.0 107.149 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m -71.04 154.59 41.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.751 -0.462 . . . . 25.0 109.751 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -103.76 167.23 16.18 Favored Glycine 0 C--O 1.229 -0.185 0 N-CA-C 108.655 -1.778 . . . . 25.0 108.655 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -149.83 146.46 27.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.9 pt -132.76 159.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 105.558 -2.016 . . . . 25.0 105.558 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -142.44 159.79 41.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.13 175.54 44.1 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 106.165 -2.774 . . . . 25.0 106.165 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -131.23 141.21 49.99 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 118.479 1.139 . . . . 25.0 110.956 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -152.96 173.88 14.84 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 100.483 -3.895 . . . . 25.0 100.483 170.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -121.23 140.36 52.15 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.174 -1.788 . . . . 25.0 106.174 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.9 122.08 46.08 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 mt -124.72 150.42 46.21 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -101.73 142.76 32.57 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.07 121.24 60.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -100.61 112.85 25.3 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.7 t -98.79 116.58 31.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.81 0.338 . . . . 25.0 110.334 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -93.91 112.53 26.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-O 121.36 0.6 . . . . 25.0 109.925 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -93.72 139.7 30.52 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.17 -28.47 69.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.167 0.508 . . . . 25.0 112.245 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.84 18.32 2.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.638 -0.71 . . . . 25.0 112.501 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.0 mt 58.48 27.0 14.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.513 1.125 . . . . 25.0 111.597 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.1 m -91.82 25.9 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.431 -1.259 . . . . 25.0 109.055 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.18 149.28 44.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.563 -169.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.87 161.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -166.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.3 t -128.97 145.79 51.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -152.67 171.85 17.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.402 -1.703 . . . . 25.0 106.402 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -129.21 150.38 50.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.324 0.511 . . . . 25.0 110.941 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.4 mt -133.73 149.8 51.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 25.0 111.229 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -102.36 129.05 48.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.49 164.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -84.15 166.67 17.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.21 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.014 -0.429 . . . . 25.0 110.918 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -96.63 13.24 28.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.479 0.657 . . . . 25.0 111.116 -175.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.52 132.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 25.0 109.395 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.0 152.08 37.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.481 0.181 . . . . 25.0 111.28 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.3 -27.82 68.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 170.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.52 -41.75 86.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.387 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -81.16 -34.01 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.439 177.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.64 -42.07 99.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -61.83 -33.89 74.97 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 120.598 -0.441 . . . . 25.0 110.957 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.85 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.353 0.597 . . . . 25.0 109.509 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.1 -41.31 99.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.682 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 22.2 p -77.17 -25.19 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.825 -0.547 . . . . 25.0 111.869 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.53 -39.61 91.97 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.12 -45.41 92.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.319 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.09 -42.59 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.155 0.502 . . . . 25.0 111.864 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.6 t -85.27 -15.93 41.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.58 25.73 71.6 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 121.166 -0.54 . . . . 25.0 114.228 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 4.0 pt -137.22 141.92 36.0 Favored Pre-proline 0 N--CA 1.469 0.496 0 N-CA-C 109.068 -0.715 . . . . 25.0 109.068 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.98 140.26 65.28 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 116.29 -2.007 . . . . 25.0 114.203 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -25.98 68.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.844 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.08 62.91 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.969 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.15 17.26 17.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.311 0.577 . . . . 25.0 110.383 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -146.16 177.38 9.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -134.39 158.0 44.96 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -125.69 138.25 55.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.15 140.03 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 -177.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -141.78 134.43 28.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.424 -1.324 . . . . 25.0 107.424 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 40.65 27.25 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.004 0.522 . . . . 25.0 109.973 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 59.61 7.0 0.92 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.43 1.641 . . . . 25.0 115.43 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -105.57 132.88 20.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 121.679 -0.638 . . . . 25.0 109.874 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.67 149.95 61.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 115.95 -2.233 . . . . 25.0 110.722 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.55 114.48 28.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.3 p -114.98 -33.82 5.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -83.49 72.66 10.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.932 0.873 . . . . 25.0 109.238 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -66.7 -13.44 61.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.128 -0.942 . . . . 25.0 113.53 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -72.19 -15.82 61.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.564 0.697 . . . . 25.0 110.728 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.21 148.72 24.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.419 -0.801 . . . . 25.0 110.201 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.5 p -75.6 160.98 29.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.725 . . . . 25.0 109.423 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.95 -29.89 70.37 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.11 0.481 . . . . 25.0 111.186 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.38 70.32 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.093 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.3 t -69.8 -16.48 63.29 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -101.66 -4.86 25.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.98 66.49 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.964 -0.855 . . . . 25.0 110.964 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.41 79.2 2.46 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.682 0.754 . . . . 25.0 110.293 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.79 157.7 36.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.849 -1.069 . . . . 25.0 112.341 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.29 130.33 44.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.975 -1.011 . . . . 25.0 108.759 171.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.88 -17.39 49.17 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.349 -0.842 . . . . 25.0 113.27 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -79.75 169.6 17.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 117.91 0.855 . . . . 25.0 112.012 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.6 p -133.93 142.21 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 120.958 0.408 . . . . 25.0 111.595 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.84 160.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 107.465 -1.309 . . . . 25.0 107.465 175.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 86.9 mt -122.08 125.29 72.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -106.79 132.44 52.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 106.257 -1.756 . . . . 25.0 106.257 176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -118.22 113.01 20.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.177 0.513 . . . . 25.0 109.996 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 123.782 1.753 . . . . 25.0 111.894 179.054 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 123.357 1.551 . . . . 25.0 114.686 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.34 22.89 61.82 Favored Glycine 0 C--N 1.346 1.122 0 O-C-N 120.58 -1.325 . . . . 25.0 113.817 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -71.83 4.9 2.9 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.991 1.849 . . . . 25.0 115.991 -174.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -120.47 132.61 55.29 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.789 -0.57 . . . . 25.0 110.908 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -100.72 83.36 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.53 -0.759 . . . . 25.0 112.132 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.0 m80 64.17 -179.86 0.17 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.409 1.084 . . . . 25.0 113.637 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -124.25 4.77 8.48 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.589 -0.732 . . . . 25.0 110.434 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -138.65 159.89 40.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -68.6 135.83 52.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -139.68 142.67 36.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -81.6 147.05 29.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -70.05 145.49 51.66 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.199 -0.296 . . . . 25.0 110.199 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 m -64.37 157.04 27.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.884 0.373 . . . . 25.0 111.523 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.7 t -151.33 164.29 37.0 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.002 -1.851 . . . . 25.0 106.002 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.18 58.08 0.59 Allowed Glycine 0 C--O 1.225 -0.436 0 N-CA-C 111.786 -0.525 . . . . 25.0 111.786 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -95.6 122.68 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.8 pt -131.21 158.19 43.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -148.32 -64.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.379 0.609 . . . . 25.0 110.877 -176.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.44 -149.11 19.18 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 107.369 -2.292 . . . . 25.0 107.369 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -89.21 140.05 29.86 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 105.266 -2.124 . . . . 25.0 105.266 173.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -158.03 166.92 31.31 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.567 -2.012 . . . . 25.0 105.567 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -120.76 166.96 13.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 123.125 0.57 . . . . 25.0 111.443 -172.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.3 tp -117.86 131.79 56.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.0 mt -123.66 156.98 34.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.0 m -111.15 138.78 47.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.67 127.62 72.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -110.11 114.14 27.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.91 121.37 41.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.82 131.74 54.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.104 0.478 . . . . 25.0 110.861 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -123.12 143.7 49.82 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -65.48 -23.41 66.9 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.957 0.355 . . . . 25.0 111.957 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -88.54 25.66 1.65 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.161 0.505 . . . . 25.0 110.988 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt 52.42 29.79 7.4 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.444 1.098 . . . . 25.0 113.431 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.12 21.31 5.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.405 -0.816 . . . . 25.0 110.158 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -72.47 148.0 45.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.321 -170.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -155.05 160.48 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 -171.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -133.45 147.77 51.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -152.35 171.1 18.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.5 p -123.55 145.63 48.73 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.5 mt -121.84 144.64 48.71 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -113.62 118.67 35.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -144.52 163.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -79.56 166.68 21.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.32 94.14 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.65 0.262 . . . . 25.0 110.627 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -90.79 11.97 20.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.515 0.674 . . . . 25.0 112.724 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.84 130.71 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.27 148.98 46.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.95 0.405 . . . . 25.0 111.483 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -60.91 -35.62 77.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 25.0 109.967 175.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -35.74 76.15 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.597 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.84 -38.02 23.6 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.506 0.669 . . . . 25.0 109.991 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.54 -46.1 91.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.994 -0.441 . . . . 25.0 112.003 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -27.92 68.42 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.298 -0.561 . . . . 25.0 110.481 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.88 71.43 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.24 -41.0 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 25.0 110.368 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 12.0 p -73.17 -25.36 60.77 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.183 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.84 -40.59 91.89 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.882 -0.785 . . . . 25.0 108.882 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.92 -45.91 90.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 25.0 111.507 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -35.66 76.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.162 0.506 . . . . 25.0 111.531 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 45.0 m -79.94 -23.86 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.67 22.63 73.61 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.765 0.666 . . . . 25.0 114.765 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 33.9 pt -135.4 150.4 72.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 117.088 0.444 . . . . 25.0 110.582 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.0 127.02 16.11 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.499 -1.868 . . . . 25.0 113.358 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.32 -24.67 66.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.353 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.34 70.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -105.64 16.61 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.242 1.02 . . . . 25.0 109.294 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -126.61 178.03 6.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.992 -1.004 . . . . 25.0 109.076 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -134.32 147.31 50.55 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.815 -1.179 . . . . 25.0 107.815 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.24 134.12 67.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.0 -1.481 . . . . 25.0 107.0 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 63.3 t -136.15 137.75 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 123.381 0.673 . . . . 25.0 110.569 -170.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -141.11 141.03 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.91 44.45 25.31 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.834 0.454 . . . . 25.0 111.396 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.41 16.24 4.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -123.84 141.27 36.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.2 145.87 50.03 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 115.099 -2.8 . . . . 25.0 111.129 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 127' ' ' LEU . 21.6 mt -92.02 91.19 7.72 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -110.47 -34.52 6.3 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.233 1.938 . . . . 25.0 116.233 -172.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -80.82 89.97 5.85 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 9.7 p30 -68.89 -12.0 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 -171.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -76.95 -8.08 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.786 0.679 . . . . 25.0 112.309 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.35 150.66 22.46 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 110.008 -0.368 . . . . 25.0 110.008 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.0 p -82.31 164.48 21.09 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 169.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.71 -34.31 77.91 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 122.012 -0.43 . . . . 25.0 111.58 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.9 -30.16 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 25.0 111.046 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.2 m -70.2 -16.46 63.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -100.25 -10.41 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 109.937 -0.394 . . . . 25.0 109.937 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 89.45 20.15 46.12 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-O 119.647 -0.529 . . . . 25.0 113.926 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.5 87.75 0.32 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 117.889 0.845 . . . . 25.0 110.552 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.72 162.02 25.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.138 0.494 . . . . 25.0 110.569 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -57.98 131.06 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.543 0.687 . . . . 25.0 109.69 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.67 -11.37 66.53 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 115.192 -0.913 . . . . 25.0 114.406 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.96 153.69 39.79 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 118.608 1.204 . . . . 25.0 111.916 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.9 t -115.44 129.29 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 25.0 111.003 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.73 142.53 21.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.7 mt -116.65 123.8 72.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.416 0.627 . . . . 25.0 109.372 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.85 135.97 44.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.609 -1.997 . . . . 25.0 105.609 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 39.0 mtp-105 -135.77 106.52 6.57 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.837 -0.539 . . . . 25.0 112.046 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 124.977 2.322 . . . . 25.0 111.181 177.612 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 122.717 1.246 . . . . 25.0 113.663 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.62 150.07 32.54 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 109.946 -1.262 . . . . 25.0 109.946 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -99.42 148.01 24.66 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -67.6 134.12 50.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.344 0.592 . . . . 25.0 111.38 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -91.84 116.83 29.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.851 -0.613 . . . . 25.0 109.549 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.86 166.28 34.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.467 0.543 . . . . 25.0 112.467 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 53.92 37.79 27.37 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.273 1.212 . . . . 25.0 114.273 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -67.69 -43.07 81.0 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.656 -0.653 . . . . 25.0 112.382 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -159.67 159.36 32.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -141.54 17.08 2.19 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -63.59 -51.58 64.72 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.327 1.232 . . . . 25.0 114.327 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -155.74 149.06 24.73 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -152.78 152.09 31.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.4 t 52.54 -140.79 0.89 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.376 0.67 . . . . 25.0 111.728 178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.77 -3.42 5.7 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 111.696 -0.562 . . . . 25.0 111.696 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -72.25 115.81 11.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.413 -0.463 . . . . 25.0 110.45 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.0 pt -123.83 9.55 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 112.659 0.614 . . . . 25.0 112.659 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -73.88 157.46 36.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.99 46.97 0.02 OUTLIER Glycine 0 C--O 1.227 -0.286 0 N-CA-C 115.478 0.951 . . . . 25.0 115.478 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -71.25 138.4 49.4 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.036 0.918 . . . . 25.0 110.0 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -164.09 174.74 10.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -145.94 163.89 33.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.756 -1.202 . . . . 25.0 107.756 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.4 tp -112.45 133.25 54.63 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 122.317 0.247 . . . . 25.0 110.58 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -125.03 155.84 39.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -108.75 135.32 50.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.77 127.79 72.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -113.59 112.38 23.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.027 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -96.7 131.23 43.59 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.4 t -124.66 131.54 72.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 120.807 0.337 . . . . 25.0 111.194 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.72 147.53 45.79 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 173.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -65.17 -16.98 64.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.134 0.492 . . . . 25.0 111.526 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.78 15.77 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.811 -1.086 . . . . 25.0 111.661 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt 57.88 24.83 11.34 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.116 1.154 . . . . 25.0 114.116 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.95 25.84 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.801 0.81 . . . . 25.0 109.2 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -72.2 145.82 47.76 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.845 -1.071 . . . . 25.0 109.905 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.4 p -152.78 144.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 -174.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.5 t -123.48 141.87 51.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -153.26 173.93 14.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.097 -1.816 . . . . 25.0 106.097 -175.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.7 p -123.71 155.27 38.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -131.0 140.45 50.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.064 0.459 . . . . 25.0 109.983 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -101.32 113.63 26.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.59 165.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 122.556 0.342 . . . . 25.0 111.342 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -79.07 160.28 27.16 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.77 78.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.64 16.27 10.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.724 0.773 . . . . 25.0 112.168 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -67.85 128.05 35.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 25.0 109.861 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.02 143.22 58.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.804 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -29.38 70.48 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.08 0.467 . . . . 25.0 109.942 176.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -59.48 -43.19 93.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.73 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.58 -32.62 53.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.797 -0.564 . . . . 25.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.45 -43.26 99.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -27.66 67.55 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.688 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.35 67.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 117.999 0.363 . . . . 25.0 110.074 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.11 -38.18 87.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.36 -42.82 99.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.258 -0.428 . . . . 25.0 110.341 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.36 -40.96 92.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 25.0 110.613 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.46 -46.13 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 25.0 111.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -71.65 -40.02 69.96 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.254 0.55 . . . . 25.0 112.466 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.2 p -82.58 -24.11 34.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.61 21.26 76.23 Favored Glycine 0 CA--C 1.515 0.082 0 C-N-CA 121.107 -0.568 . . . . 25.0 114.327 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.76 146.47 50.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -62.85 119.13 6.08 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 117.057 -1.495 . . . . 25.0 113.752 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.46 -24.32 67.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 25.0 109.989 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.18 -24.57 67.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.945 -0.57 . . . . 25.0 112.537 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.86 14.84 27.49 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 120.772 0.32 . . . . 25.0 111.409 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.0 p -133.88 165.29 25.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -173.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -125.17 149.99 47.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 107.0 -1.482 . . . . 25.0 107.0 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -121.62 136.15 59.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.601 -0.889 . . . . 25.0 108.601 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.97 136.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 124.028 0.931 . . . . 25.0 110.665 -168.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -141.2 143.56 34.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.361 -1.718 . . . . 25.0 106.361 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.61 45.24 27.02 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.458 0.647 . . . . 25.0 111.211 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 60.37 7.36 1.28 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.809 1.781 . . . . 25.0 115.809 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -124.38 145.89 50.29 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.479 -0.763 . . . . 25.0 111.924 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.67 148.85 53.87 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 115.182 -2.746 . . . . 25.0 112.072 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.86 122.59 33.7 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 105.211 -2.144 . . . . 25.0 105.211 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 43.1 p -113.06 -43.51 3.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -82.28 101.33 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -76.04 -10.77 59.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.627 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -90.4 32.27 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.099 0.874 . . . . 25.0 111.95 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -134.13 142.2 47.39 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -77.46 163.38 26.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.055 0.455 . . . . 25.0 110.702 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.18 -39.75 83.52 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 121.443 0.64 . . . . 25.0 111.197 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.98 68.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.821 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m -72.7 -18.51 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.867 0.321 . . . . 25.0 111.867 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.53 -6.84 26.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.26 20.5 56.97 Favored Glycine 0 C--O 1.226 -0.393 0 C-N-CA 121.177 -0.535 . . . . 25.0 114.093 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 90.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.809 0.804 . . . . 25.0 110.499 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -80.69 162.05 24.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.011 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.92 129.14 36.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.033 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.52 -10.1 66.87 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-O 119.302 -0.721 . . . . 25.0 114.415 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.13 153.8 42.79 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 118.418 1.109 . . . . 25.0 110.989 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.03 130.67 67.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.871 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.19 137.75 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.92 131.2 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.9 tt -121.08 137.75 54.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 25.0 108.655 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.04 123.91 41.94 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 122.148 -0.345 . . . . 25.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 124.395 2.045 . . . . 25.0 110.688 178.09 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 94.1 mtp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 122.157 0.98 . . . . 25.0 113.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.35 97.52 0.16 Allowed Glycine 0 C--O 1.219 -0.786 0 O-C-N 121.755 -0.591 . . . . 25.0 113.008 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -149.69 146.44 27.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -68.6 134.55 50.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.283 -0.266 . . . . 25.0 110.283 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -137.44 -24.45 1.06 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.647 0.61 . . . . 25.0 112.647 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 53.13 37.27 24.53 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.663 0.986 . . . . 25.0 113.663 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -62.69 -43.67 98.21 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 122.056 -0.403 . . . . 25.0 110.469 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.9 t60 55.49 -166.06 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.663 0.785 . . . . 25.0 113.074 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -163.77 176.94 9.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -117.58 -41.7 2.92 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.25 0.344 . . . . 25.0 111.365 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.3 t60 53.87 38.47 28.76 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.832 1.049 . . . . 25.0 113.832 175.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -70.06 159.47 33.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.692 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 t 81.17 161.22 0.16 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.503 1.921 . . . . 25.0 111.841 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -158.11 164.11 36.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.299 -1.741 . . . . 25.0 106.299 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.79 170.79 43.0 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 107.443 -2.263 . . . . 25.0 107.443 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -144.48 151.11 38.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.929 -1.878 . . . . 25.0 105.929 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.5 pt -129.59 158.7 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.524 -1.288 . . . . 25.0 107.524 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -104.0 -47.79 4.08 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.279 -0.638 . . . . 25.0 109.279 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.93 -171.08 40.54 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 116.025 -0.534 . . . . 25.0 113.434 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 43.98 32.03 0.58 Allowed 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 116.298 1.962 . . . . 25.0 116.298 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -119.69 165.23 14.77 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -111.86 -179.66 3.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 122.816 0.446 . . . . 25.0 110.144 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.0 tp -133.64 133.15 41.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.1 153.75 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -102.29 140.65 36.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.62 131.63 72.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -120.77 109.29 14.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -93.98 134.51 36.3 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.2 t -130.04 130.97 66.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.137 0.494 . . . . 25.0 112.065 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -132.95 144.44 50.13 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 105.199 -2.148 . . . . 25.0 105.199 171.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.69 -10.93 60.21 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.42 26.72 1.61 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.032 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.91 29.72 8.19 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.702 1.201 . . . . 25.0 113.298 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 21.23 9.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.799 0.809 . . . . 25.0 108.929 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.62 147.76 41.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.296 -0.866 . . . . 25.0 110.169 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.07 152.86 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 t -134.99 147.45 49.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -156.66 174.89 14.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.555 -1.646 . . . . 25.0 106.555 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -126.71 147.66 49.94 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.6 mt -126.24 147.24 49.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.23 128.07 43.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.84 161.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -81.97 168.23 18.08 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.07 75.3 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 12.12 12.24 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.819 -0.628 . . . . 25.0 112.553 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.85 129.57 41.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -69.6 147.65 50.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.051 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.85 -35.73 80.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -57.87 -40.08 79.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 25.0 110.364 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -78.05 -38.84 43.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 120.886 0.374 . . . . 25.0 110.328 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.46 -44.3 96.74 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.81 73.11 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.284 -0.567 . . . . 25.0 110.572 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.98 64.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.068 0.461 . . . . 25.0 110.268 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.55 -41.39 93.08 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.882 -0.511 . . . . 25.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 15.5 p -75.22 -26.04 58.61 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.238 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.55 -43.69 84.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.93 -44.68 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.533 -0.758 . . . . 25.0 111.725 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -70.81 -42.88 69.7 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 -178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.0 p -79.63 -22.33 43.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.89 14.2 82.85 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.792 -0.718 . . . . 25.0 114.463 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.2 pt -125.07 138.46 31.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 117.46 0.63 . . . . 25.0 109.339 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -64.44 134.69 42.68 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.477 1.299 . . . . 25.0 115.477 -172.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -23.98 64.46 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.82 63.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.012 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -100.58 9.91 41.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.587 0.708 . . . . 25.0 109.227 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.5 m -131.96 168.71 17.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.615 0.721 . . . . 25.0 111.721 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -128.49 146.82 50.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 106.822 -1.548 . . . . 25.0 106.822 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.7 tt -120.71 134.55 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.6 t -128.77 139.44 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 124.252 1.021 . . . . 25.0 110.046 -167.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -137.84 139.31 39.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 42.81 25.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.205 0.526 . . . . 25.0 110.832 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 58.83 12.88 2.46 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.661 1.726 . . . . 25.0 115.661 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -119.81 142.65 33.51 Favored Pre-proline 0 N--CA 1.47 0.533 0 O-C-N 121.609 -0.682 . . . . 25.0 110.818 175.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.09 145.59 49.91 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 116.566 -1.823 . . . . 25.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 12.1 mt -89.88 94.1 9.68 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.1 p -108.79 -24.24 11.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.85 1.796 . . . . 25.0 115.85 -174.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -85.64 79.33 9.39 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -67.06 -2.78 5.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.463 1.282 . . . . 25.0 114.463 -173.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.47 10.58 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.335 0.654 . . . . 25.0 112.368 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -118.11 143.91 46.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 122.072 -0.392 . . . . 25.0 110.989 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 81.5 p -76.02 160.38 29.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.918 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.91 -34.38 78.26 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.476 0.655 . . . . 25.0 112.582 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.94 -28.03 69.8 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.044 -0.41 . . . . 25.0 110.397 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.3 t -69.1 -16.95 63.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.853 0.316 . . . . 25.0 111.853 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -101.98 -6.18 23.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.13 20.65 56.99 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 119.116 -0.825 . . . . 25.0 113.828 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.92 85.91 0.7 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.538 1.169 . . . . 25.0 109.554 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -82.26 167.82 18.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.3 0.571 . . . . 25.0 110.877 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -55.34 126.32 24.5 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.671 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.92 -10.29 66.04 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.602 -0.726 . . . . 25.0 114.515 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.55 163.31 28.2 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 117.85 0.825 . . . . 25.0 111.22 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.8 t -125.31 139.38 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 -171.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.55 156.5 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.8 mt -121.63 128.7 75.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 10.0 tt -113.16 133.98 54.78 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.96 128.25 51.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.964 -0.46 . . . . 25.0 110.227 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 123.596 0.758 . . . . 25.0 111.065 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 124.88 2.276 . . . . 25.0 112.748 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.2 -35.75 0.02 OUTLIER Glycine 0 C--O 1.225 -0.415 0 CA-C-N 113.042 -1.89 . . . . 25.0 112.545 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 52.04 34.36 13.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.572 1.323 . . . . 25.0 114.572 172.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -103.93 133.43 48.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.491 0.662 . . . . 25.0 110.558 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.73 171.51 18.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 103.89 -2.633 . . . . 25.0 103.89 176.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -139.61 141.8 37.1 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -114.33 133.65 55.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.165 -1.791 . . . . 25.0 106.165 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -71.29 119.22 15.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -152.89 178.16 9.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -130.54 154.75 47.49 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 172.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -160.87 -179.48 7.6 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.181 -2.155 . . . . 25.0 105.181 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -64.91 135.17 55.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 m -72.13 75.34 0.96 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.9 p -79.12 -31.13 44.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.24 8.97 87.1 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.06 -0.59 . . . . 25.0 111.631 -175.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -104.01 173.64 6.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.04 117.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -80.98 154.46 26.92 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.444 0.64 . . . . 25.0 111.049 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.89 169.75 54.35 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 115.551 -0.75 . . . . 25.0 114.656 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -139.74 33.1 2.01 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -135.82 169.98 16.7 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -99.57 169.19 9.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.468 0.651 . . . . 25.0 112.232 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.8 tp -131.75 131.93 43.4 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.12 153.82 40.92 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -103.52 140.74 37.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.18 123.64 65.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -109.94 112.85 25.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.54 125.86 49.4 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.234 -0.291 . . . . 25.0 110.473 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.73 130.64 58.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-O 121.13 0.49 . . . . 25.0 110.93 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -125.08 145.38 49.95 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.972 -1.492 . . . . 25.0 106.972 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -65.11 -24.08 67.32 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.308 1.225 . . . . 25.0 114.308 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 16.07 2.57 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.206 0.447 . . . . 25.0 112.206 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.5 mt 58.09 28.06 15.83 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.496 1.141 . . . . 25.0 109.881 -173.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.6 t -89.27 25.54 1.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.968 -1.469 . . . . 25.0 107.718 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -72.68 150.99 42.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.793 -1.094 . . . . 25.0 109.461 -176.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.6 p -152.1 153.81 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 25.0 107.981 -174.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -130.97 142.56 50.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -155.06 176.92 11.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.862 -1.533 . . . . 25.0 106.862 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.9 m -128.45 148.49 50.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.903 0.319 . . . . 25.0 110.309 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.69 143.51 50.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.316 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.22 128.9 44.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.51 161.06 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 -175.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.15 167.67 10.07 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.64 72.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.137 0.494 . . . . 25.0 110.698 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -85.5 2.6 44.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.582 -0.736 . . . . 25.0 112.601 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.64 125.81 28.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.715 -0.616 . . . . 25.0 111.532 -176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.3 152.46 43.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.967 -0.561 . . . . 25.0 112.476 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 157' ' ' ASN . 0.1 OUTLIER -63.26 -35.51 80.59 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 170.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -58.85 -44.28 90.96 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.123 0.487 . . . . 25.0 111.163 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -73.67 -34.21 64.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.79 0.329 . . . . 25.0 110.15 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -63.37 -42.86 98.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -65.87 -30.01 70.55 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.471 -0.892 . . . . 25.0 110.829 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.28 63.87 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.266 0.555 . . . . 25.0 110.374 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.62 -36.66 84.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.518 0.675 . . . . 25.0 109.64 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.73 -35.56 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.391 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.46 -38.23 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.079 -0.341 . . . . 25.0 110.079 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.98 -44.13 97.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.71 -31.28 41.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.621 0.6 . . . . 25.0 112.621 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.8 p -89.83 -20.32 23.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 -174.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.53 70.95 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.328 0.891 . . . . 25.0 115.328 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.64 153.62 81.18 Favored Pre-proline 0 C--O 1.219 -0.518 0 CA-C-N 117.425 0.613 . . . . 25.0 110.4 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.49 124.47 12.91 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 116.697 -1.735 . . . . 25.0 113.211 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.51 -24.82 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.517 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.98 69.14 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -96.01 27.06 3.78 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.747 0.784 . . . . 25.0 109.973 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -140.74 159.49 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 -173.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.72 147.15 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.34 133.75 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.5 m -129.82 152.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.815 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -136.68 131.94 34.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 103.677 -2.712 . . . . 25.0 103.677 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.06 42.15 28.24 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -171.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 59.66 5.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.257 1.947 . . . . 25.0 116.257 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -109.09 139.8 21.32 Favored Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 121.646 -0.658 . . . . 25.0 109.712 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.48 145.33 52.67 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 116.992 -1.539 . . . . 25.0 116.042 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 80.4 mt -96.78 109.5 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 176.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 51.9 p -118.24 -35.67 3.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -172.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -81.66 96.51 7.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.869 0.842 . . . . 25.0 110.481 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 80.9 m-20 -65.08 -19.01 65.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -175.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -72.09 -19.16 61.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.38 0.609 . . . . 25.0 112.128 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -89.61 147.63 23.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.664 -0.647 . . . . 25.0 112.26 -176.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 93.7 p -78.87 161.05 27.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 109.446 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.89 -34.61 78.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.095 0.474 . . . . 25.0 111.309 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.09 71.19 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.189 -0.319 . . . . 25.0 110.305 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.7 t -69.95 -20.14 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.437 -0.165 . . . . 25.0 110.652 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -94.4 -5.59 46.04 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.7 21.16 56.76 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-O 119.264 -0.742 . . . . 25.0 113.355 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.56 86.72 0.89 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.271 1.035 . . . . 25.0 109.645 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -72.92 161.54 30.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.482 -0.781 . . . . 25.0 110.371 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -59.42 127.34 31.62 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 174.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.21 58.35 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.573 -0.74 . . . . 25.0 114.2 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.15 156.39 36.33 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.365 1.082 . . . . 25.0 110.745 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.28 139.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 25.0 110.614 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.17 156.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.8 mt -122.81 129.07 75.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.77 136.79 52.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -130.41 108.85 10.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 123.607 1.67 . . . . 25.0 111.724 -177.942 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 76.1 mtm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 122.527 1.156 . . . . 25.0 113.476 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.38 -177.3 41.74 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 109.139 -1.585 . . . . 25.0 109.139 -177.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -131.72 165.14 24.4 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -115.8 163.28 16.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -133.13 165.4 24.86 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 -176.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -107.33 150.08 27.1 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -138.05 165.94 25.35 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 t60 51.68 74.16 0.27 Allowed 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.931 0.769 . . . . 25.0 112.316 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -65.1 130.9 45.02 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.239 -1.393 . . . . 25.0 107.239 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -69.54 132.98 47.12 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.066 -0.346 . . . . 25.0 110.066 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.14 141.03 43.75 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -139.53 -42.92 0.45 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.549 1.315 . . . . 25.0 114.549 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -31.65 70.05 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.6 p 51.9 -156.45 0.14 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.85 37.4 0.13 Allowed Glycine 0 C--O 1.225 -0.432 0 N-CA-C 110.611 -0.996 . . . . 25.0 110.611 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -77.09 124.65 28.11 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 122.159 -0.612 . . . . 25.0 112.201 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 78.6 mt -131.23 116.66 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 107.386 -1.339 . . . . 25.0 107.386 177.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -84.56 148.45 26.48 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.78 24.54 0.23 Allowed Glycine 0 C--O 1.217 -0.918 0 CA-C-O 118.849 -0.973 . . . . 25.0 114.975 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 55.89 60.16 3.41 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 122.403 1.096 . . . . 25.0 112.079 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -93.22 162.57 13.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 104.532 -2.396 . . . . 25.0 104.532 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 44.3 mtm -131.81 171.03 14.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.726 0.298 . . . . 25.0 110.794 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.76 133.06 47.97 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.74 152.63 47.5 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -101.18 137.63 39.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.18 122.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -106.57 114.79 29.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.75 130.91 44.68 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.9 t -115.37 131.88 66.37 Favored 'Isoleucine or valine' 0 C--O 1.245 0.84 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -124.71 145.74 49.53 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 169.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.4 -30.66 71.37 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.75 23.26 1.0 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.7 mt 56.11 30.89 17.17 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.508 1.123 . . . . 25.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.77 24.59 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -72.39 152.69 41.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.532 -1.213 . . . . 25.0 110.389 -174.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -150.55 154.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.412 -1.699 . . . . 25.0 106.412 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -132.55 142.68 49.28 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 175.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -150.34 176.15 11.16 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 106.477 -1.675 . . . . 25.0 106.477 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 91.7 p -128.81 152.58 48.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.5 mt -128.61 141.36 51.38 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.217 0.532 . . . . 25.0 110.366 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -91.54 127.74 37.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.716 -1.957 . . . . 25.0 105.716 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.68 -179.64 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 -174.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -108.96 166.96 10.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.787 -0.819 . . . . 25.0 108.787 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.23 91.37 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -92.89 15.53 14.61 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.694 0.759 . . . . 25.0 111.925 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.64 127.51 31.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.556 . . . . 25.0 110.518 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -69.98 148.6 48.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.812 0.339 . . . . 25.0 110.669 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.49 -28.16 69.47 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.115 -0.366 . . . . 25.0 111.467 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.79 -44.46 96.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.65 0.738 . . . . 25.0 109.351 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.92 -40.26 68.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.676 0.75 . . . . 25.0 109.592 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.09 -42.62 98.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -69.47 -29.6 67.3 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.611 -0.836 . . . . 25.0 111.315 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.76 79.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 mp -63.12 -43.38 98.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.653 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.6 p -76.74 -25.07 53.08 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 119.685 -0.806 . . . . 25.0 112.022 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.46 -41.49 96.48 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.45 -45.21 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.821 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -68.98 -35.72 77.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.275 0.559 . . . . 25.0 111.184 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.1 m -80.23 -26.01 39.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.52 30.42 73.1 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.49 0.556 . . . . 25.0 114.49 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.04 152.58 77.74 Favored Pre-proline 0 N--CA 1.473 0.71 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -68.87 134.52 30.1 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 115.812 -2.325 . . . . 25.0 112.998 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.05 67.87 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.965 -0.459 . . . . 25.0 110.737 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.79 -22.33 66.96 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -103.49 8.5 37.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.976 0.362 . . . . 25.0 111.976 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 78.6 p -143.4 167.28 22.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -173.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.35 160.3 38.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 tt -124.98 134.93 65.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.306 -0.628 . . . . 25.0 109.306 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.16 138.4 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 124.247 1.019 . . . . 25.0 110.551 -168.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -142.84 143.72 32.22 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.453 -1.314 . . . . 25.0 107.453 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.09 44.94 28.44 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.837 0.455 . . . . 25.0 110.773 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.7 9.76 2.32 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.25 1.574 . . . . 25.0 115.25 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.14 145.08 54.05 Favored Pre-proline 0 N--CA 1.466 0.353 0 O-C-N 121.771 -0.581 . . . . 25.0 112.17 -178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.87 145.02 49.67 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 116.39 -1.94 . . . . 25.0 112.166 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.6 mt -88.3 80.46 7.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -80.74 -39.27 27.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.276 1.584 . . . . 25.0 115.276 -171.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -83.76 89.66 7.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.713 0.768 . . . . 25.0 110.394 -176.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -71.22 -7.67 48.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.418 1.266 . . . . 25.0 114.418 -174.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -83.52 -15.83 47.87 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.133 0.492 . . . . 25.0 111.532 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.39 153.31 22.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.713 -0.617 . . . . 25.0 111.335 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.9 p -81.62 161.54 23.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.814 -0.63 . . . . 25.0 110.506 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.13 -36.49 84.19 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.89 70.87 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.191 -0.318 . . . . 25.0 110.621 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 23.0 t -66.75 -19.85 65.84 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.172 -0.33 . . . . 25.0 111.253 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -101.36 -2.82 30.01 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.903 0.382 . . . . 25.0 110.07 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 78.98 28.64 53.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-O 119.169 -0.795 . . . . 25.0 112.694 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.01 83.89 1.26 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.633 1.217 . . . . 25.0 109.454 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -68.41 151.56 46.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.241 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.47 133.12 55.8 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.61 -11.03 66.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.628 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.87 164.95 26.01 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 118.884 1.342 . . . . 25.0 112.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 24.1 t -115.27 132.4 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.468 0.651 . . . . 25.0 111.924 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 4.1 t -112.08 144.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.234 -1.395 . . . . 25.0 107.234 178.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.41 120.78 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.377 0.608 . . . . 25.0 109.477 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.1 tt -99.4 130.92 45.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.545 -2.02 . . . . 25.0 105.545 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -124.33 120.04 31.01 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.306 -0.872 . . . . 25.0 112.66 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.208 -1.115 0 CA-C-O 123.89 1.805 . . . . 25.0 109.737 168.754 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 95.0 mtp . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 125.243 2.449 . . . . 25.0 112.096 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.92 -169.86 52.43 Favored Glycine 0 C--O 1.223 -0.575 0 CA-C-N 112.009 -2.359 . . . . 25.0 110.591 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -71.62 -41.04 69.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.908 0.385 . . . . 25.0 111.526 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 45.98 42.73 9.72 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.979 1.103 . . . . 25.0 113.979 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -62.82 132.79 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -71.43 133.15 45.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.164 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -146.28 42.89 1.2 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -174.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -72.96 152.0 41.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 175.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -134.59 169.32 17.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -150.73 176.09 11.36 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 105.622 -1.992 . . . . 25.0 105.622 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -138.86 -176.82 4.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -119.86 162.2 19.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.845 -1.168 . . . . 25.0 107.845 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -88.46 146.1 25.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.0 p -149.38 56.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.929 -0.397 . . . . 25.0 109.929 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.48 -36.28 90.89 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 115.214 0.846 . . . . 25.0 115.214 -175.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 53.55 35.51 21.06 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.0 mt -91.13 124.23 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -140.48 139.89 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.324 -1.732 . . . . 25.0 106.324 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.89 -178.01 41.89 Favored Glycine 0 C--O 1.227 -0.298 0 N-CA-C 110.637 -0.985 . . . . 25.0 110.637 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -100.81 75.02 1.68 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.259 0.529 . . . . 25.0 110.252 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -129.39 165.85 20.72 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -131.73 164.96 24.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.818 -0.438 . . . . 25.0 109.818 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -122.28 133.59 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.01 154.39 39.92 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.39 138.09 47.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.131 -1.063 . . . . 25.0 108.131 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.59 131.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -117.04 113.44 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.713 -1.218 . . . . 25.0 107.713 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 78.8 m -98.96 135.7 40.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.84 131.94 70.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 122.893 0.477 . . . . 25.0 111.921 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -124.29 148.27 47.54 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -66.04 -22.38 66.43 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.51 18.53 2.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 25.0 111.583 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.9 mt 57.09 28.82 15.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.09 0.956 . . . . 25.0 111.476 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.7 m -90.45 26.04 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 25.0 109.284 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.35 148.1 45.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.844 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.48 157.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 -173.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -136.24 149.67 48.62 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.023 -1.103 . . . . 25.0 108.023 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.55 173.15 17.35 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.09 -1.818 . . . . 25.0 106.09 -176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.8 m -124.84 150.02 46.85 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.095 -0.706 . . . . 25.0 109.095 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.07 143.55 51.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -102.36 125.98 49.24 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.547 -1.649 . . . . 25.0 106.547 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.64 166.58 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.43 166.96 12.97 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.5 74.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.42 -5.16 57.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 25.0 112.299 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.5 127.71 32.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.288 0.566 . . . . 25.0 110.879 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' A' ' 129' ' ' ASN . 1.6 pm0 -79.27 150.85 31.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.164 0.801 . . . . 25.0 113.164 -174.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 25.0 109.685 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -58.69 -44.84 90.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 25.0 112.067 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.517 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 76.0 m-20 -80.76 -30.34 36.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.167 -0.47 . . . . 25.0 109.98 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.13 -45.48 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.97 -0.457 . . . . 25.0 112.046 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -65.74 -28.29 68.93 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.043 -0.663 . . . . 25.0 110.856 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.9 70.59 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.98 -37.74 88.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.676 -0.491 . . . . 25.0 109.676 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.08 -40.61 94.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.92 -0.487 . . . . 25.0 110.512 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.53 -40.33 96.45 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.087 0.555 . . . . 25.0 110.709 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.84 -45.91 90.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 25.0 112.085 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -79.36 -34.7 41.81 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.675 0.621 . . . . 25.0 112.675 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 89.7 p -81.65 -24.59 36.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.32 70.38 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 115.068 0.787 . . . . 25.0 115.068 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.4 pt -125.2 145.65 51.3 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.27 128.22 23.25 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 116.407 -1.928 . . . . 25.0 114.177 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.17 -27.3 67.91 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.78 -24.83 67.02 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -95.96 -0.69 50.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 25.0 110.672 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 m -119.38 161.01 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -170.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -121.54 146.36 47.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.35 -0.982 . . . . 25.0 108.35 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -121.75 131.05 73.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 -175.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.42 133.88 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.489 0.716 . . . . 25.0 111.228 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -136.54 139.78 42.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.35 -1.722 . . . . 25.0 106.35 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.39 41.52 28.32 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 123.002 0.521 . . . . 25.0 111.482 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.65 13.68 3.56 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.051 1.501 . . . . 25.0 115.051 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -119.48 136.92 24.92 Favored Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 121.733 -0.604 . . . . 25.0 110.716 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.65 149.42 48.91 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 115.995 -2.203 . . . . 25.0 112.059 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.1 mt -99.46 89.99 4.36 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.2 p -99.42 -20.86 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.849 1.425 . . . . 25.0 114.849 -172.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.96 99.37 12.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -65.65 -20.07 66.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.391 -0.822 . . . . 25.0 112.484 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -83.53 -6.03 59.33 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -90.97 148.24 22.55 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 121.353 -0.842 . . . . 25.0 109.923 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 92.7 p -79.59 159.04 26.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 173.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 35.6 mt -65.22 -33.39 75.88 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.451 0.643 . . . . 25.0 110.951 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.043 -0.411 . . . . 25.0 110.005 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.86 -17.1 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.266 -0.271 . . . . 25.0 110.724 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.53 -6.36 40.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.04 19.7 56.96 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 114.267 0.467 . . . . 25.0 114.267 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.23 88.6 0.84 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.53 0.665 . . . . 25.0 111.009 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.07 155.74 33.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.598 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -59.69 130.65 47.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.97 -11.55 67.68 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.584 -0.734 . . . . 25.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -65.72 148.8 51.16 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.162 0.981 . . . . 25.0 111.086 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.3 t -108.61 128.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.784 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.52 135.73 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.194 -1.039 . . . . 25.0 108.194 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.27 120.48 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.4 tt -113.27 131.47 55.91 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -130.73 132.04 45.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -172.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 118.118 -0.944 . . . . 25.0 109.866 170.405 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 122.649 1.214 . . . . 25.0 113.403 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.44 172.69 45.38 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.363 -1.495 . . . . 25.0 109.363 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -116.55 71.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.652 0.726 . . . . 25.0 110.721 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 58.87 -168.72 0.14 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 114.668 -1.151 . . . . 25.0 113.449 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -159.28 169.2 24.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -134.55 -55.21 0.84 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 62.84 -178.44 0.14 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.063 0.945 . . . . 25.0 113.048 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.0 m80 58.43 31.86 21.44 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.875 1.435 . . . . 25.0 114.875 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -78.11 82.72 4.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -62.98 -42.28 99.8 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 67.95 138.83 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -78.35 138.66 38.66 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -147.59 157.63 43.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 105.105 -2.183 . . . . 25.0 105.105 176.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.0 p -152.08 163.69 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.79 32.32 0.43 Allowed Glycine 0 C--O 1.224 -0.5 0 N-CA-C 111.262 -0.735 . . . . 25.0 111.262 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -75.59 137.59 40.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.9 pt -144.17 162.68 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 106.347 -1.723 . . . . 25.0 106.347 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -113.97 149.88 34.65 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.087 -0.708 . . . . 25.0 109.087 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.22 -175.42 34.2 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 107.979 -2.048 . . . . 25.0 107.979 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -146.79 126.42 13.35 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 118.336 1.068 . . . . 25.0 110.264 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -152.8 168.22 26.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.031 -2.211 . . . . 25.0 105.031 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -144.48 164.6 30.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.187 -0.671 . . . . 25.0 109.187 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.25 130.02 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.29 153.71 38.56 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -104.97 141.06 37.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.4 124.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.27 109.07 19.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.3 t -93.69 134.3 36.15 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.7 t -127.55 131.34 70.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.142 0.496 . . . . 25.0 111.962 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.24 147.17 50.22 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 171.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -66.17 -25.89 67.16 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 111.899 0.333 . . . . 25.0 111.899 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -81.18 23.18 0.6 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt 57.46 29.75 17.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.507 1.123 . . . . 25.0 112.11 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.97 21.16 4.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.411 -0.813 . . . . 25.0 109.059 176.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.56 146.08 46.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.164 -0.925 . . . . 25.0 111.111 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 148.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -125.96 143.03 51.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -155.61 174.48 15.21 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.789 -1.56 . . . . 25.0 106.789 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -130.19 149.78 51.74 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.0 mt -130.28 148.04 52.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.077 -0.511 . . . . 25.0 110.752 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -97.42 127.99 43.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.6 m -140.44 163.16 23.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -83.44 161.59 21.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.02 73.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 25.0 109.89 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.97 8.78 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.415 -0.811 . . . . 25.0 112.625 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -63.92 127.04 29.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.257 0.551 . . . . 25.0 109.985 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.2 149.57 47.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.622 -177.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -61.68 -35.59 78.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.267 178.136 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -60.37 -46.78 88.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 25.0 110.0 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -69.22 -31.65 70.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.6 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -63.39 -41.43 98.76 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.17 -0.331 . . . . 25.0 111.685 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -60.77 -44.89 96.19 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.091 0.472 . . . . 25.0 109.938 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.7 98.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 25.0 111.229 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.08 -37.46 85.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.284 0.564 . . . . 25.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.73 -41.58 99.25 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.585 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.62 -41.56 99.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.542 0.337 . . . . 25.0 110.179 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.08 -48.73 78.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.926 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.63 -43.08 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.373 0.606 . . . . 25.0 111.884 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.4 t -79.93 -16.1 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.82 24.97 75.07 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.347 -0.454 . . . . 25.0 113.914 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.1 pt -133.94 145.84 57.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -65.39 133.76 36.11 Favored 'Trans proline' 0 C--O 1.238 0.511 0 C-N-CA 115.992 -2.205 . . . . 25.0 113.069 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.25 68.3 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.78 71.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.756 0.312 . . . . 25.0 111.775 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -83.55 9.62 10.95 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.595 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.3 p -137.24 160.67 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 116.419 2.007 . . . . 25.0 116.419 -173.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -120.03 152.95 36.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.728 -1.124 . . . . 25.0 108.045 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.2 tt -121.37 136.16 59.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.33 138.46 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -138.12 131.24 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.94 41.77 27.42 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.147 0.499 . . . . 25.0 110.546 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 60.73 11.49 3.18 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.202 1.556 . . . . 25.0 115.202 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -110.96 132.2 21.77 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 121.721 -0.612 . . . . 25.0 109.403 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -70.89 146.86 54.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 115.256 -2.696 . . . . 25.0 111.361 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.489 ' HB3' HD11 ' A' ' 127' ' ' LEU . 81.4 mt -102.56 98.75 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 75.0 p -115.41 -22.84 9.13 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 87.76 7.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.116 0.96 . . . . 25.0 110.054 -177.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.96 -15.3 62.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.706 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.07 3.88 4.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.858 1.058 . . . . 25.0 113.858 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -120.83 141.17 50.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.523 -0.736 . . . . 25.0 110.789 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.13 161.48 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.516 -0.765 . . . . 25.0 109.851 176.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.01 -38.98 93.36 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.218 0.822 . . . . 25.0 113.218 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.67 70.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 122.046 -0.409 . . . . 25.0 110.758 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 15.6 m -69.53 -17.07 63.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -98.44 -2.86 38.04 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.56 18.05 59.24 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 119.3 -0.722 . . . . 25.0 113.631 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.86 86.42 2.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 118.503 1.151 . . . . 25.0 108.249 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -83.74 169.62 15.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.26 125.54 22.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.604 0.716 . . . . 25.0 110.105 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.32 -14.26 59.64 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.095 -0.957 . . . . 25.0 114.014 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.82 154.55 41.73 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 118.217 1.008 . . . . 25.0 109.275 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -126.67 138.51 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.568 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.08 160.76 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.03 132.45 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 106.962 -1.496 . . . . 25.0 106.962 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tp -116.8 134.52 54.69 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -119.84 117.15 27.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 123.167 1.46 . . . . 25.0 110.947 -179.447 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 22.1 ttt . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 122.82 1.295 . . . . 25.0 113.701 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.91 169.37 42.52 Favored Glycine 0 C--N 1.337 0.619 0 O-C-N 121.173 -0.954 . . . . 25.0 111.219 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -103.92 82.65 2.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.171 0.51 . . . . 25.0 110.549 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -120.4 12.94 11.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.44 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -82.25 87.95 6.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.09 -0.381 . . . . 25.0 111.852 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.1 m80 57.86 -169.2 0.12 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.865 0.866 . . . . 25.0 112.301 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -138.73 -54.72 0.61 Allowed 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.255 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -137.86 -55.71 0.67 Allowed 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 60.16 26.98 16.42 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.686 0.755 . . . . 25.0 111.296 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -88.25 168.15 12.96 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -111.58 147.49 35.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 103.239 -2.874 . . . . 25.0 103.239 168.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -156.71 162.24 39.8 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.044 -0.724 . . . . 25.0 109.044 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.9 t 61.27 24.09 14.24 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.806 0.843 . . . . 25.0 112.312 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -76.34 158.68 31.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.68 -72.95 0.47 Allowed Glycine 0 C--O 1.218 -0.847 0 CA-C-O 119.507 -0.607 . . . . 25.0 112.005 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 52.03 50.22 18.99 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.789 0.804 . . . . 25.0 111.194 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.09 145.57 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.239 -0.891 . . . . 25.0 111.731 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.57 -18.99 39.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.475 -0.784 . . . . 25.0 111.318 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.81 -144.45 30.12 Favored Glycine 0 C--O 1.223 -0.539 0 C-N-CA 121.138 -0.553 . . . . 25.0 112.145 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 53.22 68.02 0.91 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.29 1.218 . . . . 25.0 114.29 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -141.97 167.36 22.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 171.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -133.86 172.05 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.08 128.2 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.25 149.3 42.0 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -104.24 140.87 37.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.23 126.34 72.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.03 108.4 19.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.8 t -97.63 116.37 29.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.953 0.406 . . . . 25.0 110.004 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.45 119.65 47.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-O 121.403 0.62 . . . . 25.0 112.204 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -97.77 136.8 37.58 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 105.369 -2.086 . . . . 25.0 105.369 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.29 -16.04 63.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.766 0.317 . . . . 25.0 111.767 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -92.12 25.24 2.95 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.879 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.7 mt 58.21 18.81 5.64 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 25.78 1.45 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.77 0.795 . . . . 25.0 110.122 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.42 153.17 41.56 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.897 -1.047 . . . . 25.0 112.172 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.87 158.49 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.647 -1.242 . . . . 25.0 107.647 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -133.95 149.21 51.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 174.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -154.73 170.54 21.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.405 -1.702 . . . . 25.0 106.405 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.4 m -129.33 147.98 51.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.028 -0.36 . . . . 25.0 110.028 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.6 mt -131.37 149.05 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -106.64 134.18 50.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 m -148.44 168.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -87.28 166.92 14.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 172.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.02 -35.28 76.47 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 122.173 -0.33 . . . . 25.0 111.141 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -90.44 4.38 51.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.507 0.67 . . . . 25.0 111.997 -176.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.15 132.9 54.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.445 -0.798 . . . . 25.0 109.833 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 3.4 mp0 -68.86 147.19 52.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 25.0 111.334 -176.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -34.3 77.33 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.963 -0.46 . . . . 25.0 110.21 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -61.41 -38.59 87.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.542 0.687 . . . . 25.0 109.81 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.31 -42.65 62.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.734 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -60.76 -43.3 98.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -67.39 -29.84 69.46 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.062 -0.655 . . . . 25.0 111.155 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.23 71.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mp -62.05 -44.84 95.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.33 -0.396 . . . . 25.0 110.828 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.3 p -73.94 -25.32 59.9 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 119.644 -0.822 . . . . 25.0 111.358 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -67.69 -44.53 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.91 -45.04 91.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.227 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -67.98 -41.51 82.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.097 0.475 . . . . 25.0 111.428 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.3 t -77.89 -22.22 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.11 32.75 77.18 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 114.509 0.564 . . . . 25.0 114.509 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 42.2 pt -125.13 150.6 67.37 Favored Pre-proline 0 C--O 1.216 -0.702 0 CA-C-N 117.415 0.607 . . . . 25.0 110.482 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -69.89 127.87 15.11 Favored 'Trans proline' 0 C--O 1.24 0.582 0 C-N-CA 115.959 -2.227 . . . . 25.0 112.326 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.33 67.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.046 -0.409 . . . . 25.0 111.173 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.11 69.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.948 0.404 . . . . 25.0 111.875 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -97.73 13.99 28.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.221 -0.445 . . . . 25.0 111.931 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.7 p -147.85 170.93 16.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -138.12 151.64 47.97 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.9 tt -118.13 131.55 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 121.452 0.644 . . . . 25.0 109.338 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.0 t -127.72 140.27 49.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.121 -0.945 . . . . 25.0 110.4 -169.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -140.8 138.44 34.06 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.34 42.17 28.84 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.251 0.548 . . . . 25.0 110.987 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 59.76 11.71 2.61 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.059 1.503 . . . . 25.0 115.059 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -118.19 139.88 27.28 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.664 -0.647 . . . . 25.0 110.481 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -70.71 143.31 45.92 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 115.819 -2.321 . . . . 25.0 111.792 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.63 65.87 9.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.873 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 31.8 p -73.11 -42.2 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -173.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -82.57 89.09 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.929 0.871 . . . . 25.0 110.201 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -72.89 -11.98 60.79 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -171.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -80.4 -6.84 58.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -173.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -90.74 157.49 17.39 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.378 -0.374 . . . . 25.0 110.777 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.7 p -79.79 163.0 24.78 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 173.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 48.0 mt -67.67 -30.27 69.76 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.541 0.686 . . . . 25.0 110.61 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.04 69.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.695 -0.684 . . . . 25.0 111.04 175.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 26.2 t -66.58 -25.85 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.554 0.216 . . . . 25.0 111.146 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.49 -4.06 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.284 0.564 . . . . 25.0 109.658 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 73.58 24.4 74.81 Favored Glycine 0 C--O 1.238 0.406 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.1 mt -73.33 83.37 1.41 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.09 0.471 . . . . 25.0 110.443 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -78.97 168.57 19.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.653 0.739 . . . . 25.0 112.542 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.57 129.39 40.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.141 -0.936 . . . . 25.0 110.192 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.18 -11.32 67.45 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.885 -1.052 . . . . 25.0 113.878 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.85 159.3 33.96 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 118.46 1.13 . . . . 25.0 111.037 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 18.2 t -122.83 134.56 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.653 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.37 154.12 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 65.9 mt -118.44 115.49 48.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.747 0.784 . . . . 25.0 109.104 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.8 124.61 36.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.311 -2.107 . . . . 25.0 105.311 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -114.45 112.22 22.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.173 0.511 . . . . 25.0 111.294 -173.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.211 -0.941 0 CA-C-O 123.723 1.725 . . . . 25.0 111.595 175.539 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 77.1 mtm . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.71 1.243 . . . . 25.0 113.335 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.2 145.91 10.84 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-N 115.145 -0.934 . . . . 25.0 110.903 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.13 -41.17 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 -175.023 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.46 ' CG ' ' H ' ' A' ' 84' ' ' HIS . 8.0 t-80 60.27 -161.61 0.27 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.348 0.659 . . . . 25.0 110.312 -178.749 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.46 ' H ' ' CG ' ' A' ' 83' ' ' HIS . 37.5 m80 -132.63 164.08 27.48 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -137.04 141.72 42.45 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -138.0 44.69 2.16 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 -176.313 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -61.9 132.83 54.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.855 -0.611 . . . . 25.0 111.136 -177.427 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -153.06 160.37 42.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -156.49 143.98 19.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.946 -1.872 . . . . 25.0 105.946 177.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -154.66 146.83 23.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 118.449 0.568 . . . . 25.0 111.381 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -122.07 132.71 54.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 106.88 -1.526 . . . . 25.0 106.88 172.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.2 m -82.58 145.05 29.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.0 t -89.91 148.84 22.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.869 -1.159 . . . . 25.0 107.869 175.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -112.84 15.33 23.88 Favored Glycine 0 C--O 1.223 -0.571 0 C-N-CA 121.602 -0.333 . . . . 25.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -73.62 119.84 18.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.886 0.343 . . . . 25.0 110.508 -177.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.8 pt -136.01 168.91 21.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 178.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -75.55 -11.67 60.07 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.727 0.775 . . . . 25.0 110.855 179.381 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.86 171.91 30.22 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 109.847 -1.301 . . . . 25.0 109.847 -178.311 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -144.37 112.39 6.33 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -155.35 172.62 17.9 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 103.477 -2.786 . . . . 25.0 103.477 177.064 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.4 mtm -122.94 161.48 24.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 -178.217 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.7 tp -123.02 124.06 42.28 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 106.753 -1.573 . . . . 25.0 106.753 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -118.82 148.74 42.53 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -102.89 139.29 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 56.7 t -123.41 125.25 71.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.578 -1.268 . . . . 25.0 107.578 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 177.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.6 t -97.86 132.3 43.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 t -124.49 134.7 66.03 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.331 0.586 . . . . 25.0 112.292 -177.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -124.72 146.59 49.09 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 173.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -69.81 -16.89 63.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.53 15.41 4.58 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.048 -0.978 . . . . 25.0 111.047 179.172 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.9 mt 58.18 25.29 12.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.665 1.186 . . . . 25.0 113.855 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.67 25.91 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.248 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.33 147.56 46.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.673 -0.694 . . . . 25.0 112.301 -172.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.01 151.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 -174.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -131.63 143.69 50.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -152.91 172.26 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -177.286 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -130.63 149.53 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 -179.072 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.2 mt -132.84 143.55 49.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.086 -0.506 . . . . 25.0 110.791 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -90.98 129.31 37.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.64 162.61 26.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.495 -175.46 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.95 167.03 13.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 178.119 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.36 86.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.663 -178.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -95.52 15.59 19.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.355 0.598 . . . . 25.0 111.061 -175.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.09 131.47 48.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 176.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.25 149.66 47.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.27 -0.269 . . . . 25.0 110.66 -176.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -31.19 72.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 171.008 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -58.56 -42.36 87.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 25.0 111.883 175.374 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.98 -37.76 46.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.299 0.571 . . . . 25.0 109.736 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -61.71 -43.68 98.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -65.86 -29.61 70.09 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.756 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.07 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.254 0.55 . . . . 25.0 109.635 177.115 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.85 -43.5 98.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.247 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 11.0 p -73.9 -24.45 59.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.107 -0.637 . . . . 25.0 111.419 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -66.34 -40.88 90.12 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 177.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.56 -43.69 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.007 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -67.86 -39.11 83.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.077 0.465 . . . . 25.0 111.798 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.7 m -76.46 -26.34 55.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.444 -0.343 . . . . 25.0 111.668 -177.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.79 12.72 80.85 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.469 -0.396 . . . . 25.0 114.045 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.77 132.68 19.62 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 107.321 -1.363 . . . . 25.0 107.321 -176.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.04 131.03 43.46 Favored 'Trans proline' 0 C--N 1.352 0.729 0 N-CA-C 116.504 1.694 . . . . 25.0 116.504 -176.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.82 64.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.718 -1.128 . . . . 25.0 109.792 176.361 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.45 65.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 25.0 112.186 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -98.5 22.43 9.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.925 0.393 . . . . 25.0 110.575 -179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.4 p -142.86 178.47 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 -174.172 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -129.63 144.5 51.31 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 106.749 -1.575 . . . . 25.0 106.749 174.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -126.23 132.51 70.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 26.5 m -129.88 152.95 38.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 123.079 0.552 . . . . 25.0 109.862 -175.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -133.81 131.59 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.89 -1.893 . . . . 25.0 105.89 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.75 43.2 28.14 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.168 0.509 . . . . 25.0 110.568 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.47 16.06 7.22 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.066 1.876 . . . . 25.0 116.066 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -125.09 142.33 40.98 Favored Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.51 148.46 42.62 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 116.639 -1.774 . . . . 25.0 114.948 -173.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.93 67.77 3.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.15 -1.055 . . . . 25.0 108.15 178.582 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 12.6 p -72.32 -32.43 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -85.8 88.67 7.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.103 0.477 . . . . 25.0 110.422 -175.321 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -66.97 -16.45 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.881 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -72.0 -23.94 61.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.994 -0.548 . . . . 25.0 111.754 178.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -75.65 150.44 37.96 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.793 -0.567 . . . . 25.0 110.386 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 90.3 p -81.94 164.72 21.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.3 -1.37 . . . . 25.0 107.3 170.275 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.44 -35.21 80.18 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.385 0.612 . . . . 25.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.46 -30.13 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.716 177.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.7 m -71.42 -16.69 62.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.822 0.344 . . . . 25.0 111.671 177.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.06 -9.84 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.033 0.445 . . . . 25.0 110.096 174.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 21.67 63.95 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -176.381 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.81 86.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.973 0.892 . . . . 25.0 111.157 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.78 156.56 38.12 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 114.833 -1.076 . . . . 25.0 111.38 178.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -59.62 129.78 43.62 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 174.224 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.62 -15.05 58.87 Favored Glycine 0 C--O 1.23 -0.15 0 CA-C-N 115.607 -0.724 . . . . 25.0 113.571 -176.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -66.94 153.79 42.7 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 118.048 0.924 . . . . 25.0 110.987 178.568 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 20.6 t -116.38 133.47 62.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-N 115.379 -0.828 . . . . 25.0 109.795 -178.097 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.75 154.54 12.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 N-CA-C 106.614 -1.624 . . . . 25.0 106.614 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 81.2 mt -121.96 123.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -174.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.5 tt -109.72 127.39 54.57 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.184 -1.414 . . . . 25.0 107.184 179.114 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -108.18 106.45 16.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.42 0.629 . . . . 25.0 109.449 -178.421 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 124.155 1.931 . . . . 25.0 112.884 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 124.578 2.133 . . . . 25.0 112.787 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.78 164.67 37.86 Favored Glycine 0 C--N 1.333 0.385 0 CA-C-N 113.61 -1.632 . . . . 25.0 109.935 177.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -153.24 136.67 15.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 -179.047 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -133.21 132.72 41.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 179.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -103.61 -39.97 6.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.149 -177.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.7 m80 61.41 -165.12 0.23 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.78 0.832 . . . . 25.0 110.285 -175.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -154.32 176.59 12.12 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.105 -1.813 . . . . 25.0 106.105 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -146.59 171.34 15.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.543 -2.392 . . . . 25.0 104.543 176.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -155.45 153.17 29.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 177.017 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -119.51 149.6 41.63 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -179.142 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -140.36 168.15 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -176.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -152.32 171.89 17.3 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 104.691 -2.337 . . . . 25.0 104.691 176.519 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.5 p -146.08 156.15 43.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 177.574 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p -157.38 165.86 34.63 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 179.456 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.86 147.17 10.23 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 105.606 -2.998 . . . . 25.0 105.606 176.342 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -167.82 175.37 6.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.228 -1.767 . . . . 25.0 106.228 -177.034 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.474 HG22 ' H ' ' A' ' 97' ' ' GLU . 22.1 mt 73.46 170.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 178.299 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' H ' HG22 ' A' ' 96' ' ' ILE . 7.8 tt0 66.99 6.72 4.87 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.774 1.23 . . . . 25.0 112.582 -175.793 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.61 179.16 51.46 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 109.8 -1.32 . . . . 25.0 109.8 173.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -105.69 108.28 19.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.32 -0.518 . . . . 25.0 110.663 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.94 179.12 9.43 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 177.279 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 41.9 mtm -130.57 149.19 52.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 173.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.1 tp -111.82 130.2 55.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.199 -1.408 . . . . 25.0 107.199 175.075 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -124.12 144.76 49.7 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.0 m -94.22 139.57 30.87 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 178.273 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.0 t -125.12 130.26 73.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.59 113.0 22.1 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 177.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.0 m -103.17 116.58 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.903 0.382 . . . . 25.0 110.12 -177.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.07 114.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.057 0.456 . . . . 25.0 111.98 -177.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -84.61 147.18 27.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 169.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -68.7 -9.31 49.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.552 0.691 . . . . 25.0 110.207 175.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.83 17.31 13.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.869 1.268 . . . . 25.0 111.691 -177.428 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.4 mt 58.65 15.65 3.82 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.35 26.14 0.8 Allowed 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.047 0.939 . . . . 25.0 112.03 177.361 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -72.49 150.4 43.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.551 -0.75 . . . . 25.0 112.379 -166.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.07 158.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.867 -1.16 . . . . 25.0 107.867 -171.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -137.11 149.59 47.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 175.705 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -157.93 177.53 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 105.313 -2.106 . . . . 25.0 105.313 -177.197 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.9 p -127.21 149.86 49.8 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.4 mt -125.44 147.19 49.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -102.93 131.89 49.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 177.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.86 178.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -173.089 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -111.51 169.71 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.249 -1.389 . . . . 25.0 107.249 171.535 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.38 90.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.29 -0.1 56.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -176.084 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -60.49 128.98 39.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.245 0.545 . . . . 25.0 110.946 -177.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.06 150.46 47.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.308 -175.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.07 -29.18 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.574 -0.284 . . . . 25.0 111.032 175.127 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -61.65 -48.2 81.94 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.368 -0.605 . . . . 25.0 109.368 177.564 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -73.63 -30.03 62.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 25.0 110.685 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.72 -47.6 77.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.08 -0.388 . . . . 25.0 110.899 177.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -68.88 -27.97 66.27 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 119.678 -0.809 . . . . 25.0 110.087 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.72 90.26 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 176.359 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.25 -41.01 94.72 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 177.081 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.7 t -61.96 -44.76 96.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 25.0 111.098 178.275 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -35.8 82.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.396 -0.19 . . . . 25.0 111.295 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.609 -0.268 . . . . 25.0 110.396 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.12 -40.41 82.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.342 0.592 . . . . 25.0 110.849 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.0 t -79.35 -27.24 41.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.43 33.08 40.27 Favored Glycine 0 C--N 1.329 0.164 0 C-N-CA 121.064 -0.589 . . . . 25.0 113.24 176.463 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.8 pt -120.47 154.39 56.66 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.009 0.744 . . . . 25.0 113.009 -174.104 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.96 134.54 27.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 116.988 -1.541 . . . . 25.0 112.259 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.99 68.75 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.56 -27.38 66.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.692 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -97.04 6.41 48.64 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.325 -0.398 . . . . 25.0 111.891 -174.192 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.6 p -127.56 150.93 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.479 1.288 . . . . 25.0 114.479 -174.316 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -132.87 135.48 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 177.659 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -109.61 130.93 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 -174.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.0 136.68 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.311 0.644 . . . . 25.0 111.623 -170.118 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -130.46 135.43 47.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 175.755 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 48.44 42.04 17.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.282 0.633 . . . . 25.0 112.395 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.92 25.44 15.42 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.379 1.622 . . . . 25.0 115.379 -177.56 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -130.22 134.63 26.33 Favored Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 121.35 -0.844 . . . . 25.0 108.767 171.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.61 146.4 54.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 116.133 -2.111 . . . . 25.0 110.664 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.59 63.96 7.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.33 0.586 . . . . 25.0 109.791 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -71.07 -30.43 66.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -82.36 72.95 9.43 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 175.461 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -70.46 -12.89 61.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.347 -175.002 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.86 -5.95 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.873 0.368 . . . . 25.0 111.774 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -86.97 156.39 19.8 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.963 -0.755 . . . . 25.0 108.963 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 94.7 p -80.68 164.89 22.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.069 174.495 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.18 -39.48 92.82 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.176 0.512 . . . . 25.0 110.974 177.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.97 -30.18 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 25.0 111.463 176.694 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.0 m -70.12 -16.58 63.13 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -102.0 -8.99 21.02 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 175.199 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 88.03 20.54 49.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-O 119.503 -0.61 . . . . 25.0 113.942 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.4 84.76 1.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.242 1.021 . . . . 25.0 110.913 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.44 161.97 30.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.161 -0.927 . . . . 25.0 111.026 177.471 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.1 131.09 44.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 173.269 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.87 -8.98 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.96 -0.564 . . . . 25.0 114.007 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.45 167.42 21.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.783 0.792 . . . . 25.0 110.533 179.137 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.4 p -130.59 140.6 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.786 0.803 . . . . 25.0 113.096 -173.122 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.12 139.46 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.2 mt -112.79 127.36 70.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.915 . . . . 25.0 108.528 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -114.2 141.84 47.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 177.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -123.7 130.2 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 175.44 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 123.699 1.714 . . . . 25.0 111.064 179.716 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 59.0 tpp . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 122.64 1.209 . . . . 25.0 113.193 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.2 -169.03 39.37 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 121.563 -0.711 . . . . 25.0 111.689 -177.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -152.04 140.92 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.134 -1.432 . . . . 25.0 107.134 -179.086 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -156.66 164.61 37.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.81 0.277 . . . . 25.0 110.634 -177.733 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 63.29 173.7 0.16 Allowed 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.539 1.136 . . . . 25.0 113.907 176.552 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 50.84 40.26 24.33 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 177.726 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -98.65 171.11 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.178 0.514 . . . . 25.0 111.539 -177.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -71.16 161.69 30.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.267 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -114.97 -76.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 25.0 110.673 178.489 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -158.02 175.41 13.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.998 -1.852 . . . . 25.0 105.998 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -93.62 170.06 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 176.362 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -139.61 160.79 39.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.508 -1.664 . . . . 25.0 106.508 177.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -128.03 -174.63 3.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.6 p -137.5 161.8 35.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 178.05 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.78 -141.25 3.48 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 108.958 -1.657 . . . . 25.0 108.958 -176.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 58.84 43.66 17.94 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.452 0.701 . . . . 25.0 112.36 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 pt -73.33 161.07 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 174.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.35 163.21 12.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.41 -0.359 . . . . 25.0 111.35 -177.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.81 156.79 27.46 Favored Glycine 0 C--O 1.223 -0.547 0 N-CA-C 110.137 -1.185 . . . . 25.0 110.137 177.288 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.16 118.52 20.47 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 117.53 0.665 . . . . 25.0 110.398 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -143.93 166.65 24.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 177.204 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.5 mtm -133.0 166.75 21.68 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.8 -1.556 . . . . 25.0 106.8 175.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -126.47 130.15 50.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -122.42 145.9 47.86 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -100.03 138.85 36.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 178.225 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t -125.12 122.77 63.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -99.28 112.94 25.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 173.607 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.5 t -100.26 116.57 32.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -177.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.34 125.39 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -116.24 149.14 39.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 114.685 1.365 . . . . 25.0 114.685 -171.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.98 29.07 1.43 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -175.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt 58.77 25.38 13.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.508 1.123 . . . . 25.0 112.224 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.93 25.97 1.05 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.903 -1.044 . . . . 25.0 111.435 179.268 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.4 151.69 42.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 25.0 112.807 -170.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.78 161.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.582 -1.636 . . . . 25.0 106.582 -173.335 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -129.8 145.4 51.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 174.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -154.72 176.54 12.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -176.68 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.5 m -131.5 151.15 51.81 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.0 148.41 49.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.421 0.451 . . . . 25.0 110.446 -177.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -98.25 128.76 44.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 176.292 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.67 171.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 -172.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -98.84 165.92 11.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 173.579 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.84 83.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.673 -0.642 . . . . 25.0 110.631 174.275 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -89.98 4.37 50.32 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.663 0.744 . . . . 25.0 111.893 -176.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -59.8 131.05 49.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.1 152.68 42.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 -177.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -30.72 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 172.444 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.857 173.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -75.3 -33.27 61.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.316 0.579 . . . . 25.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -63.22 -45.01 93.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.071 -0.393 . . . . 25.0 112.027 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -28.02 66.13 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 119.868 -0.733 . . . . 25.0 110.863 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.15 69.82 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.207 0.527 . . . . 25.0 109.819 176.228 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 tp -63.4 -41.67 98.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.527 0.679 . . . . 25.0 109.484 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.38 -39.39 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.629 177.056 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.92 -43.63 98.33 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.687 0.395 . . . . 25.0 110.05 179.131 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.12 -47.44 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.634 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.74 -37.11 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.356 0.598 . . . . 25.0 112.296 -177.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 38.1 m -80.74 -22.77 39.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.078 0.399 . . . . 25.0 112.078 -177.604 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.14 17.85 79.14 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 121.063 -0.589 . . . . 25.0 112.79 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -136.57 144.37 46.97 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -63.8 130.14 26.89 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 116.512 -1.859 . . . . 25.0 113.336 -179.436 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.65 -24.62 67.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.49 67.85 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.863 -0.608 . . . . 25.0 112.209 178.503 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -99.04 14.1 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.085 0.469 . . . . 25.0 110.895 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -138.88 164.58 29.3 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -175.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.74 129.44 56.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.777 -1.194 . . . . 25.0 107.777 175.496 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 12.7 tt -107.54 132.68 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.5 t -127.84 138.21 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.343 -0.844 . . . . 25.0 110.746 -169.205 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -135.89 134.56 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 176.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.98 44.29 28.56 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.213 0.53 . . . . 25.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 59.97 9.71 1.88 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.279 1.585 . . . . 25.0 115.279 -178.455 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -117.17 134.55 23.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 121.802 -0.561 . . . . 25.0 110.441 178.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 148.27 74.3 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 115.289 -2.674 . . . . 25.0 112.186 178.821 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.84 112.54 24.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 56.1 p -111.6 -26.32 9.09 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.536 1.31 . . . . 25.0 114.536 -174.056 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.73 95.13 9.71 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -177.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -67.07 -29.09 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -177.114 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.97 -10.02 59.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.276 0.56 . . . . 25.0 112.168 -177.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -72.78 142.63 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 86.5 p -79.46 166.89 21.52 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.826 -1.176 . . . . 25.0 107.826 172.207 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.22 -39.77 93.92 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.095 -0.378 . . . . 25.0 110.021 178.249 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.2 69.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.4 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.6 m -71.13 -18.37 62.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -96.78 -10.58 26.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.214 -0.291 . . . . 25.0 110.214 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.43 20.82 63.47 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -174.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.67 77.21 4.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.941 0.877 . . . . 25.0 110.031 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -71.64 166.93 20.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.007 -1.451 . . . . 25.0 112.666 -178.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -59.25 131.36 50.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.366 -0.834 . . . . 25.0 108.926 172.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.16 70.48 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.203 -0.908 . . . . 25.0 113.079 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.24 167.22 20.57 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.418 1.109 . . . . 25.0 111.49 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.33 142.11 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -172.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 162.65 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 176.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 122.41 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -104.61 133.93 48.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 177.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -127.02 115.89 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 25.0 111.206 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 125.235 2.445 . . . . 25.0 110.501 176.234 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 122.74 1.257 . . . . 25.0 113.634 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.61 6.16 88.81 Favored Glycine 0 C--N 1.342 0.881 0 O-C-N 121.278 -0.889 . . . . 25.0 112.505 -179.526 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -142.46 156.01 45.13 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 179.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -138.78 143.66 39.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.807 -1.553 . . . . 25.0 106.807 179.452 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 m80 50.31 44.88 26.5 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.779 0.675 . . . . 25.0 112.509 179.54 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -64.02 140.02 58.83 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.2 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -65.01 159.82 22.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.49 . . . . 25.0 110.382 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -133.17 168.68 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 -179.327 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -152.79 178.05 10.05 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 179.39 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -143.22 156.59 44.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.126 -1.435 . . . . 25.0 107.126 174.277 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -159.59 174.99 13.76 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.526 -1.657 . . . . 25.0 106.526 -179.659 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -123.16 149.01 45.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.58 -1.637 . . . . 25.0 106.58 176.073 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.5 p -153.21 -178.85 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -177.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.4 p -146.91 167.6 23.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 104.0 -2.593 . . . . 25.0 104.0 176.45 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.68 -77.43 0.23 Allowed Glycine 0 C--O 1.222 -0.646 0 C-N-CA 121.037 -0.601 . . . . 25.0 113.692 -176.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 55.77 39.07 30.77 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.603 0.716 . . . . 25.0 111.79 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.2 mm -82.33 119.47 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.26 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.56 138.48 46.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.173 0.511 . . . . 25.0 111.858 -178.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.3 11.38 60.03 Favored Glycine 0 C--O 1.226 -0.359 0 CA-C-N 115.608 -0.724 . . . . 25.0 112.402 -179.449 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.24 56.38 3.28 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 -174.678 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -90.22 176.24 6.83 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 104.468 -2.419 . . . . 25.0 104.468 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -125.95 167.02 15.85 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.255 -0.276 . . . . 25.0 110.255 -176.47 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.7 tp -112.6 133.53 54.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.028 -177.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.89 145.43 48.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 174.551 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.2 m -99.04 140.41 33.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.04 130.17 73.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 -178.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.03 114.22 25.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.1 t -97.5 130.91 44.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.9 t -119.16 131.96 70.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.173 0.511 . . . . 25.0 111.518 -177.809 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -113.5 152.42 30.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.209 -1.404 . . . . 25.0 107.209 172.458 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -20.39 66.2 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.046 0.45 . . . . 25.0 110.82 174.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -91.1 16.99 8.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.323 -0.853 . . . . 25.0 111.723 -177.623 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.3 mt 54.49 26.82 7.56 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 179.156 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.63 25.57 1.23 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.91 0.884 . . . . 25.0 110.093 176.69 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.64 149.07 44.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 25.0 112.131 -169.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.08 157.85 5.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 107.345 -1.354 . . . . 25.0 107.345 -172.049 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -134.82 149.37 50.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 175.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -157.05 175.73 13.69 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.298 -2.112 . . . . 25.0 105.298 -176.34 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.19 152.11 49.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 178.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.2 mt -128.91 147.65 50.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.097 -177.405 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -99.53 129.32 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.956 -1.498 . . . . 25.0 106.956 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.73 156.27 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 -174.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.08 163.57 20.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 176.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.48 91.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.27 0.557 . . . . 25.0 109.938 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -92.71 11.78 25.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.543 0.687 . . . . 25.0 112.318 -177.379 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -64.6 138.33 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.82 144.76 55.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.794 0.294 . . . . 25.0 111.794 -177.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.31 -34.6 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 172.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -56.54 -48.32 77.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.419 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.23 -30.81 54.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.478 -0.328 . . . . 25.0 110.753 -177.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.12 -50.35 72.26 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.064 -0.397 . . . . 25.0 110.471 177.556 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -66.48 -31.69 72.58 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 119.78 -0.768 . . . . 25.0 110.155 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.83 98.63 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.206 0.457 . . . . 25.0 109.86 178.273 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.18 -37.25 80.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 176.46 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.618 -0.512 . . . . 25.0 109.618 176.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -30.99 69.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.881 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.69 -47.29 75.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.681 0.277 . . . . 25.0 110.603 178.401 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -73.0 -34.35 66.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 25.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 72.1 p -83.02 -30.86 27.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -178.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.2 30.78 40.56 Favored Glycine 0 CA--C 1.513 -0.044 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.913 173.504 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -114.43 152.76 46.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 122.531 -0.394 . . . . 25.0 110.582 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.76 130.18 25.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 117.037 -1.509 . . . . 25.0 112.88 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -178.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.91 58.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 -178.013 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -120.58 22.95 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 25.0 111.104 -173.752 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.9 t -144.95 159.22 43.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.849 0.356 . . . . 25.0 111.128 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -132.91 152.64 51.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 173.261 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.1 tt -115.41 133.35 61.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 -178.05 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -122.97 135.11 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.516 -0.766 . . . . 25.0 110.875 -170.505 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -137.94 137.59 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.796 -1.187 . . . . 25.0 107.796 178.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.11 41.17 27.26 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.192 0.52 . . . . 25.0 110.753 -176.434 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.9 12.74 3.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.385 1.624 . . . . 25.0 115.385 -178.212 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -119.3 141.33 30.41 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 178.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.11 147.62 48.87 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 115.505 -2.53 . . . . 25.0 111.535 178.35 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.21 110.91 22.3 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 176.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 66.9 p -106.94 -34.83 7.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -173.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -81.99 98.79 8.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.791 0.805 . . . . 25.0 109.276 -175.34 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.31 -25.82 67.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.006 -176.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.6 -0.45 42.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 -175.355 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -91.45 151.51 20.77 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.5 p -83.85 167.1 17.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.593 -0.892 . . . . 25.0 108.593 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 71.7 mt -68.41 -32.86 73.2 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.988 -0.445 . . . . 25.0 111.034 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.509 174.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 43.7 m -70.78 -16.54 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 178.725 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -100.79 -7.26 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 176.096 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.57 22.07 70.78 Favored Glycine 0 C--O 1.239 0.465 0 C-N-CA 121.112 -0.566 . . . . 25.0 111.88 -176.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.93 81.41 1.67 Allowed 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.414 0.626 . . . . 25.0 110.561 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -74.32 164.0 27.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.808 -177.156 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.47 126.59 22.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.703 -0.681 . . . . 25.0 110.475 173.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.13 -10.07 65.54 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 119.53 -0.595 . . . . 25.0 114.584 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -70.69 160.07 33.3 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 118.294 1.047 . . . . 25.0 109.665 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.96 141.09 47.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 115.833 -0.621 . . . . 25.0 110.207 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.9 160.49 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.886 -1.153 . . . . 25.0 107.886 177.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.57 113.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.292 0.567 . . . . 25.0 109.473 -177.556 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.18 127.48 35.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 178.544 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.26 110.64 12.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.953 -0.467 . . . . 25.0 111.911 -173.225 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 125.415 2.531 . . . . 25.0 110.775 174.961 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 123.712 1.72 . . . . 25.0 114.417 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.54 144.19 18.9 Favored Glycine 0 C--O 1.22 -0.73 0 N-CA-C 109.783 -1.327 . . . . 25.0 109.783 176.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.88 -45.2 71.6 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.969 0.384 . . . . 25.0 111.747 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t60 52.47 -106.42 0.28 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.446 -0.797 . . . . 25.0 110.878 -176.366 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -155.28 173.99 15.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 175.783 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -119.72 168.12 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 175.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -140.54 159.17 42.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 -177.648 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -76.41 178.4 6.59 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.061 0.458 . . . . 25.0 110.411 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -52.47 118.77 3.82 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -178.176 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.23 -7.64 56.25 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.831 1.049 . . . . 25.0 113.831 -177.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 58.38 -157.28 0.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 -173.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 55.26 35.83 25.74 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.653 0.739 . . . . 25.0 111.064 -174.204 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -68.72 156.62 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.169 -0.923 . . . . 25.0 110.656 178.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 m -65.26 149.95 49.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.701 0.286 . . . . 25.0 110.336 176.516 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.76 -165.41 40.82 Favored Glycine 0 C--O 1.221 -0.711 0 N-CA-C 110.185 -1.166 . . . . 25.0 110.185 177.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -63.56 -35.55 80.84 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 111.864 0.32 . . . . 25.0 111.864 178.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.0 mt 55.78 66.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-O 122.676 1.227 . . . . 25.0 108.626 -176.579 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.0 134.2 50.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.977 -1.011 . . . . 25.0 109.42 179.23 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.39 165.43 36.92 Favored Glycine 0 CA--C 1.506 -0.476 0 N-CA-C 108.764 -1.734 . . . . 25.0 108.764 179.296 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.35 105.47 16.72 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 -179.535 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -157.6 175.81 13.44 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 -179.039 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -136.14 160.6 38.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 178.201 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.7 tp -115.26 122.96 47.57 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -177.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -112.03 152.8 27.74 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.333 -0.988 . . . . 25.0 108.333 177.556 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -107.93 134.87 50.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 177.28 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.39 126.41 71.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 -178.567 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -112.15 112.25 23.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -97.63 133.55 42.02 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.743 -0.465 . . . . 25.0 109.743 -177.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.06 132.66 70.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -175.422 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -120.87 151.33 39.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 171.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -70.14 -23.55 63.02 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.077 0.465 . . . . 25.0 111.693 -177.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.47 18.67 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.705 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 mt 59.14 29.5 19.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.458 1.103 . . . . 25.0 112.221 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 m -88.81 25.23 1.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.25 -0.886 . . . . 25.0 109.276 175.465 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.38 150.01 43.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.827 -1.079 . . . . 25.0 111.309 -174.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.78 151.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.08 -1.081 . . . . 25.0 108.08 -174.146 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.8 t -128.37 146.23 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 177.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -155.41 174.19 15.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.634 -1.617 . . . . 25.0 106.634 -176.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m -129.99 151.88 50.06 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.279 -0.267 . . . . 25.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.4 mt -131.18 141.84 50.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 25.0 111.884 -176.418 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -97.57 115.77 28.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.972 -1.013 . . . . 25.0 108.42 177.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.8 163.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -177.345 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -90.18 169.28 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 175.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.24 76.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.233 0.539 . . . . 25.0 111.63 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.26 3.1 53.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.755 -176.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -55.18 133.55 49.15 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.134 0.492 . . . . 25.0 111.678 -177.404 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.43 144.45 54.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.008 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -27.12 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 25.0 110.959 172.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -66.95 -44.34 80.82 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 120.895 0.378 . . . . 25.0 110.018 179.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.05 -32.41 59.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.732 0.301 . . . . 25.0 110.768 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.04 -45.81 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.707 0.632 . . . . 25.0 112.707 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.31 -28.05 68.38 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.18 -0.608 . . . . 25.0 110.542 -179.34 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.54 66.07 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 176.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -37.92 89.24 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.352 0.596 . . . . 25.0 109.785 176.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 74.5 m -66.4 -37.1 84.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 25.0 110.909 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 178.138 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.6 -45.03 95.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.624 0.602 . . . . 25.0 112.624 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -70.06 -32.97 71.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 25.0 111.786 -178.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.0 p -92.2 -15.61 27.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -175.317 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.56 33.11 75.85 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 114.448 0.539 . . . . 25.0 114.448 177.031 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 24.9 pt -110.71 156.23 40.94 Favored Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 -174.556 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -70.4 121.08 7.65 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 115.835 -2.31 . . . . 25.0 110.755 172.419 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.2 -36.8 76.0 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.819 -0.551 . . . . 25.0 112.171 -178.471 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.59 -24.7 67.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -177.283 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.95 15.62 28.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.76 0.314 . . . . 25.0 111.296 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.3 p -132.73 158.06 43.32 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -175.335 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -135.38 151.61 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.423 -0.808 . . . . 25.0 109.48 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -127.9 135.81 61.97 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-O 121.233 0.54 . . . . 25.0 110.396 -175.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.3 153.12 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.855 -0.612 . . . . 25.0 110.617 -176.42 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -140.66 137.52 33.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 178.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 37.8 23.95 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.389 0.614 . . . . 25.0 110.064 -174.626 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 58.14 22.64 9.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.478 1.288 . . . . 25.0 114.478 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -125.04 145.58 50.79 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 179.043 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.22 146.87 52.37 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 116.951 -1.566 . . . . 25.0 114.798 -175.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.6 mt -103.25 96.76 6.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.185 -0.916 . . . . 25.0 108.621 178.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 39.2 p -112.3 -43.1 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.596 1.702 . . . . 25.0 115.596 -174.09 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.5 113.72 3.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 -168.173 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -73.82 -7.46 52.3 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 170.156 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -82.45 3.54 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 48.9 mtt85 -128.67 143.64 50.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.484 0.659 . . . . 25.0 112.59 -178.091 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 67.1 p -88.16 169.65 11.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 171.271 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.43 -35.76 81.1 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-O 121.317 0.579 . . . . 25.0 110.862 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.82 69.41 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 121.953 -0.467 . . . . 25.0 111.516 175.626 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.6 t -70.05 -17.62 63.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -95.78 -7.67 36.5 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 175.276 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.55 21.35 62.2 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.196 -0.762 . . . . 25.0 111.196 -175.093 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.55 85.7 0.87 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.331 0.565 . . . . 25.0 109.532 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.15 165.34 19.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.634 -0.712 . . . . 25.0 111.945 -178.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.03 126.8 27.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.906 -0.776 . . . . 25.0 108.906 174.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.74 -12.03 59.36 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.217 -0.902 . . . . 25.0 114.521 -179.063 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.45 150.46 48.9 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 118.42 1.11 . . . . 25.0 111.46 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.01 125.29 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 25.0 110.003 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.6 t -107.07 140.81 23.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 106.386 -1.709 . . . . 25.0 106.386 179.745 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.8 mt -111.95 130.03 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 -178.088 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.14 134.53 55.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 -179.258 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -123.61 127.95 48.99 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 179.54 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.812 0 CA-C-O 123.39 1.567 . . . . 25.0 109.595 176.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 122.502 1.144 . . . . 25.0 112.52 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.47 12.89 82.5 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 120.989 -1.069 . . . . 25.0 111.315 -176.241 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -69.34 137.27 52.77 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 122.924 0.489 . . . . 25.0 112.066 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -117.07 103.13 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 177.438 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -82.08 -23.06 35.99 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 116.743 2.127 . . . . 25.0 116.743 -170.51 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 38.52 58.26 1.66 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.909 1.818 . . . . 25.0 115.909 178.388 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 55.98 55.35 7.0 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.647 0.737 . . . . 25.0 111.706 -179.134 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -55.73 118.57 4.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.321 -0.854 . . . . 25.0 111.789 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -119.29 160.97 21.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.056 -1.09 . . . . 25.0 108.056 177.672 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 57.42 -154.35 0.35 Allowed 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.923 0.764 . . . . 25.0 111.934 178.278 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -153.68 172.66 16.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.441 -2.429 . . . . 25.0 104.441 -178.472 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -109.41 -50.63 2.97 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.599 0.182 . . . . 25.0 111.149 178.088 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m 61.7 170.97 0.12 Allowed 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.693 0.998 . . . . 25.0 113.693 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.0 p -162.31 171.42 17.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.914 -1.884 . . . . 25.0 105.914 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.19 157.75 23.79 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 109.551 -1.42 . . . . 25.0 109.551 177.178 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -163.04 172.04 15.57 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.527 -2.027 . . . . 25.0 105.527 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.0 pt -120.99 163.2 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 176.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -107.22 -37.68 6.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 178.407 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.11 -171.73 50.7 Favored Glycine 0 C--O 1.214 -1.114 0 C-N-CA 121.307 -0.473 . . . . 25.0 113.212 175.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 55.36 27.4 9.93 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 114.494 1.294 . . . . 25.0 114.494 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 122' ' ' ASP . 25.9 p80 -101.72 166.02 10.9 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 106.863 -1.532 . . . . 25.0 106.863 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -130.07 179.95 5.58 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 106.527 -1.656 . . . . 25.0 106.527 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.32 130.38 53.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 117.949 0.341 . . . . 25.0 111.225 -177.766 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.82 156.08 40.11 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 176.195 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.8 m -109.05 142.29 39.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 177.083 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.15 125.83 69.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -106.95 111.55 24.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 175.641 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.45 128.82 44.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.51 124.39 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.76 0.314 . . . . 25.0 110.814 -178.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.531 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 42.3 mtp180 -116.23 146.32 42.44 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 176.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -65.1 -14.54 60.76 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.069 0.461 . . . . 25.0 111.647 177.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.38 15.95 3.36 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 124.16 0.984 . . . . 25.0 112.667 -176.704 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.8 mt 56.05 25.71 9.2 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.331 1.052 . . . . 25.0 112.155 -176.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 18.4 m -99.36 25.87 6.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.966 -1.015 . . . . 25.0 109.203 -179.448 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -72.32 145.33 47.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.842 -174.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.19 150.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 -171.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -125.14 143.61 50.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 176.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.86 170.84 19.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 -176.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.8 m -126.09 149.27 49.02 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 mt -129.41 144.78 51.39 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.982 -176.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -96.19 124.99 40.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 173.66 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.57 155.36 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 -175.182 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 100' ' ' HIS . 2.7 t70 -79.49 165.2 23.27 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.976 -0.69 . . . . 25.0 110.09 178.538 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.84 92.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.153 0.502 . . . . 25.0 109.939 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.38 14.56 25.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.23 0.538 . . . . 25.0 112.045 -176.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.87 128.49 37.13 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.86 152.56 37.18 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -175.263 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.64 -29.59 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.93 -0.481 . . . . 25.0 110.67 176.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -57.62 -48.29 79.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 176.301 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -69.57 -37.69 77.09 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.396 -0.82 . . . . 25.0 111.371 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -66.6 -36.89 83.71 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.117 0.484 . . . . 25.0 110.147 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.9 88.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.601 177.557 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.52 0.676 . . . . 25.0 110.463 178.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.54 -37.19 86.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 25.0 111.152 175.305 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.322 -0.622 . . . . 25.0 109.322 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 42.9 tp -60.46 -46.02 91.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 25.0 112.345 -177.67 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -73.81 -40.43 63.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -178.624 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.3 t -85.31 -18.32 34.21 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -173.536 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.05 29.19 74.23 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.369 -0.443 . . . . 25.0 113.888 -179.4 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -129.57 142.48 45.42 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 122.25 -0.559 . . . . 25.0 111.168 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.44 119.26 6.26 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 116.73 -1.713 . . . . 25.0 112.572 177.477 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.87 67.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.38 73.99 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -88.17 13.91 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.039 0.447 . . . . 25.0 110.94 -177.817 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.4 m -137.31 159.2 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -173.592 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 141.85 48.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 175.129 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -117.06 138.51 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -177.018 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.0 p -141.54 144.39 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.412 0.685 . . . . 25.0 109.919 -173.037 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -148.12 137.25 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.971 -1.492 . . . . 25.0 106.971 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.33 42.68 26.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.98 0.419 . . . . 25.0 110.689 -176.904 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 59.88 9.72 1.83 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 -179.03 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -116.93 141.57 28.51 Favored Pre-proline 0 N--CA 1.467 0.406 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.265 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.44 152.05 60.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 116.236 -2.042 . . . . 25.0 113.177 -176.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.5 mt -108.93 49.62 0.81 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.003 -1.11 . . . . 25.0 108.003 177.502 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -94.59 -11.66 29.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.46 -0.791 . . . . 25.0 112.307 -176.136 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.73 85.83 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.734 0.778 . . . . 25.0 108.938 178.626 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -62.71 -12.99 27.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 115.308 1.596 . . . . 25.0 115.308 -172.141 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -85.81 8.54 19.63 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.793 1.405 . . . . 25.0 114.793 -174.643 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -120.49 151.54 39.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.832 -0.542 . . . . 25.0 110.968 -179.056 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.4 p -85.11 163.21 18.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.41 0.444 . . . . 25.0 110.411 177.587 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.06 -32.96 73.66 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 121.515 0.674 . . . . 25.0 112.209 -175.681 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -30.06 70.18 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.545 174.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.1 m -68.5 -16.51 63.91 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -100.41 -4.56 28.73 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 177.025 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.08 59.1 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.43 -1.068 . . . . 25.0 110.43 -176.097 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.42 85.41 1.5 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.721 0.772 . . . . 25.0 109.878 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.57 160.86 30.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.625 -1.171 . . . . 25.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.41 128.63 38.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.715 -0.846 . . . . 25.0 108.715 173.791 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.18 -10.54 63.63 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.506 -0.77 . . . . 25.0 114.217 -178.278 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -70.71 153.66 42.59 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 118.357 1.078 . . . . 25.0 109.35 176.842 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.83 137.66 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 25.0 109.77 -178.448 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.24 161.19 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.5 mt -123.93 133.15 70.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 -178.324 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.7 tt -119.65 134.62 55.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 176.38 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -126.16 128.46 47.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.113 0.483 . . . . 25.0 110.68 -179.406 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 125.666 2.65 . . . . 25.0 110.849 177.596 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 57.2 mtt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 122.895 1.331 . . . . 25.0 113.599 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.56 167.18 38.0 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 114.975 -1.012 . . . . 25.0 111.375 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -159.11 167.45 29.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.013 -1.477 . . . . 25.0 107.013 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -153.93 152.12 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 177.214 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -146.63 118.21 8.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 178.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.06 145.46 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 177.09 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -155.17 140.0 17.19 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.854 -1.165 . . . . 25.0 107.854 178.004 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -153.75 139.86 18.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -143.96 165.1 28.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.357 -1.72 . . . . 25.0 106.357 172.737 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -147.45 160.79 42.18 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 102.999 -2.963 . . . . 25.0 102.999 175.278 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -146.38 153.23 40.26 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -172.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -145.62 155.27 42.92 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.4 m -137.19 150.41 47.88 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 179.081 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.6 t -152.43 167.29 29.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 105.129 -2.174 . . . . 25.0 105.129 -179.244 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 152.17 46.63 0.02 OUTLIER Glycine 0 C--O 1.217 -0.952 0 C-N-CA 121.032 -0.604 . . . . 25.0 113.357 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -144.2 167.77 21.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 55.2 mt 78.28 96.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 125.754 1.622 . . . . 25.0 110.771 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -91.62 -8.05 48.34 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.133 -0.94 . . . . 25.0 110.258 178.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.06 -164.9 13.7 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 110.284 -1.127 . . . . 25.0 110.284 -177.618 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.93 37.74 0.1 Allowed 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 121.428 0.632 . . . . 25.0 110.438 177.808 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -149.31 174.63 12.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 104.345 -2.465 . . . . 25.0 104.345 -178.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -123.73 -180.0 4.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -131.68 130.55 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 -177.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -122.95 147.73 46.28 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.518 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 37.9 m -100.27 144.21 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.2 t -125.04 129.28 73.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 179.195 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -113.72 106.89 15.03 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.207 -1.034 . . . . 25.0 108.207 176.68 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 t -96.33 128.08 42.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.63 131.59 70.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.757 0 CA-C-O 121.594 0.711 . . . . 25.0 111.591 -175.042 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -122.62 143.75 49.56 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 173.133 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -66.52 -12.94 60.06 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.376 0.509 . . . . 25.0 112.376 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.02 19.2 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.911 -178.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt 54.58 28.78 10.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.677 1.191 . . . . 25.0 112.435 -178.001 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.56 24.88 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.443 174.514 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.15 147.84 46.24 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.415 -174.071 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.81 149.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 107.054 -1.461 . . . . 25.0 107.054 -174.356 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -132.19 144.5 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.306 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -155.38 175.33 14.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 -174.282 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -129.41 154.3 47.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.983 0.356 . . . . 25.0 110.052 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.7 mt -128.67 144.02 51.07 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.003 0.43 . . . . 25.0 111.575 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -90.89 126.82 36.16 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.928 -1.508 . . . . 25.0 106.928 176.362 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.42 161.43 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 -174.622 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -90.92 171.31 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 176.408 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.29 68.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.579 0.704 . . . . 25.0 110.771 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -87.35 1.66 52.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.881 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.51 130.05 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.75 151.92 43.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.618 0.247 . . . . 25.0 111.058 -177.725 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.0 -31.39 72.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.25 0.548 . . . . 25.0 109.961 172.006 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -60.1 -42.17 94.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 25.0 110.523 178.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -78.14 -35.23 49.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.823 0.82 . . . . 25.0 110.175 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.98 -45.15 95.94 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.901 -0.499 . . . . 25.0 111.928 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -68.58 -24.97 64.66 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.217 -0.593 . . . . 25.0 112.074 178.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.83 69.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 176.159 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.09 -43.3 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.79 -0.569 . . . . 25.0 111.629 177.005 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -70.92 -25.78 62.91 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.206 -0.998 . . . . 25.0 111.388 -178.422 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.39 -49.73 65.84 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 175.099 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.72 -47.02 87.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.504 -0.771 . . . . 25.0 111.992 -178.452 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -69.45 -38.12 77.65 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -177.169 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.2 t -89.22 -16.06 32.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.654 0.983 . . . . 25.0 113.654 -176.311 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.58 31.74 77.06 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.282 -0.485 . . . . 25.0 113.9 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 pp -124.84 135.18 26.39 Favored Pre-proline 0 N--CA 1.468 0.463 0 O-C-N 122.372 -0.487 . . . . 25.0 110.519 -179.418 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.04 129.7 29.73 Favored 'Trans proline' 0 C--O 1.241 0.634 0 C-N-CA 116.82 -1.653 . . . . 25.0 114.268 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.43 -27.6 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.528 . . . . 25.0 111.743 179.086 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -178.688 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -101.79 9.48 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 -174.454 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 m -136.97 152.49 50.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -173.08 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -116.34 148.32 40.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.113 -0.494 . . . . 25.0 109.785 -178.654 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.467 HG12 HD12 ' A' ' 154' ' ' LEU . 19.1 tt -126.2 136.58 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.304 0.573 . . . . 25.0 110.829 -176.197 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.9 p -141.7 144.79 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-N 115.782 -0.645 . . . . 25.0 109.577 -173.35 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -142.62 138.56 30.8 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 179.028 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.15 39.88 24.54 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.691 0.758 . . . . 25.0 111.433 -178.055 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 57.41 20.95 6.39 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.677 -1.147 . . . . 25.0 113.962 -178.117 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -125.11 143.6 44.7 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 175.572 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.43 146.33 49.92 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 116.582 -1.812 . . . . 25.0 113.015 -176.191 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.467 HD12 HG12 ' A' ' 147' ' ' ILE . 48.1 mt -96.49 64.13 2.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 177.015 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.6 p -96.59 -22.57 16.97 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 115.557 1.688 . . . . 25.0 115.557 -173.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.73 76.16 10.24 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 -177.64 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.21 -11.3 20.09 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 115.159 1.54 . . . . 25.0 115.159 -171.293 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.27 -7.19 58.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -94.59 152.84 18.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.956 -0.465 . . . . 25.0 111.295 -178.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 80.7 p -79.98 161.58 25.39 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 174.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 45.6 mt -65.15 -34.9 79.5 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 121.123 0.487 . . . . 25.0 110.983 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.43 68.74 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.375 175.225 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.1 m -70.32 -16.71 63.03 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -99.08 -3.63 34.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.951 0.405 . . . . 25.0 110.018 176.338 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 75.9 25.48 66.86 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.511 -1.036 . . . . 25.0 110.511 -175.046 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.2 86.28 3.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -81.6 166.81 19.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.16 -0.927 . . . . 25.0 110.506 179.015 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.96 127.9 34.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.829 -0.623 . . . . 25.0 110.711 178.392 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.4 -14.57 62.09 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.331 -0.85 . . . . 25.0 113.059 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -67.43 148.72 51.2 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 118.036 0.918 . . . . 25.0 109.383 178.121 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -120.05 134.92 62.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.836 -175.487 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 14.9 m -110.51 159.01 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.4 mt -118.38 131.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -178.709 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.6 tt -117.07 132.53 56.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.23 125.44 41.0 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.091 -0.381 . . . . 25.0 110.245 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 124.193 1.949 . . . . 25.0 111.036 177.188 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 123.959 1.838 . . . . 25.0 114.189 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.09 -167.59 12.36 Favored Glycine 0 C--N 1.34 0.759 0 N-CA-C 110.009 -1.236 . . . . 25.0 110.009 -177.646 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -94.08 141.07 28.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 179.136 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -71.76 -14.68 62.07 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.748 1.018 . . . . 25.0 113.748 -175.34 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -120.8 140.89 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.035 -0.416 . . . . 25.0 111.157 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -91.39 162.94 14.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 177.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -149.15 143.0 25.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.741 0.305 . . . . 25.0 111.438 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -148.97 140.61 23.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 104.171 -2.529 . . . . 25.0 104.171 171.752 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -110.99 157.75 19.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.649 0.262 . . . . 25.0 110.853 -177.437 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -116.89 98.65 6.61 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 177.74 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -86.73 154.91 20.6 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.066 -1.086 . . . . 25.0 108.066 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -116.08 161.42 18.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 178.207 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.5 m -84.97 141.89 30.02 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.442 -0.947 . . . . 25.0 108.442 175.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m -119.59 4.7 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.186 0.439 . . . . 25.0 112.186 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.09 -178.22 47.4 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 109.327 -1.509 . . . . 25.0 109.327 -177.744 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -74.46 157.05 36.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.039 0.42 . . . . 25.0 110.15 179.006 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 pt -121.23 0.2 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 122.352 1.072 . . . . 25.0 108.61 177.006 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -76.64 158.43 31.08 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.463 -1.244 . . . . 25.0 108.97 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.04 -146.88 17.0 Favored Glycine 0 C--O 1.227 -0.288 0 N-CA-C 108.581 -1.808 . . . . 25.0 108.581 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 63.09 26.11 15.24 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.375 1.07 . . . . 25.0 113.29 177.173 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -105.0 163.27 12.66 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 106.109 -1.811 . . . . 25.0 106.109 177.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -129.76 172.08 12.01 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -121.86 134.03 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.7 mt -122.37 152.0 40.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.767 -1.197 . . . . 25.0 107.767 176.391 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 m -103.37 135.82 44.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 176.559 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.36 122.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -107.78 113.0 25.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.506 -0.77 . . . . 25.0 109.093 -179.096 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.6 125.36 42.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.96 128.44 74.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-O 121.231 0.539 . . . . 25.0 110.842 -176.76 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -114.7 147.12 40.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 105.653 -1.98 . . . . 25.0 105.653 172.248 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -59.15 -29.21 67.26 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.124 0.786 . . . . 25.0 113.124 -175.348 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.94 22.24 1.74 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.668 -0.697 . . . . 25.0 112.714 -176.349 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt 55.33 34.09 22.13 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.463 1.105 . . . . 25.0 112.108 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 m -92.8 26.08 2.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.381 -1.281 . . . . 25.0 108.904 176.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.51 151.98 42.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.44 -1.254 . . . . 25.0 112.843 -170.377 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -149.55 150.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -176.144 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 t -128.42 144.18 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 177.081 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -153.04 174.26 14.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.297 -1.742 . . . . 25.0 106.297 -176.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -128.8 150.8 50.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.39 143.68 50.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.131 -0.486 . . . . 25.0 110.417 -178.179 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -103.95 125.05 50.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 178.407 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.85 164.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 -172.488 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -80.3 159.04 25.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 174.666 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.72 88.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 176.388 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -93.15 15.51 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.608 0.718 . . . . 25.0 112.306 -176.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.54 136.68 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 178.189 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.25 142.8 56.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.147 -0.345 . . . . 25.0 110.584 -178.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.8 -29.79 70.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.095 -1.076 . . . . 25.0 108.095 172.11 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.19 -48.32 79.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.489 175.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.23 -31.42 58.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.877 -0.329 . . . . 25.0 110.366 178.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.68 -42.87 99.85 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -65.67 -31.83 73.06 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 119.843 -0.743 . . . . 25.0 110.659 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.0 -37.06 67.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.435 0.636 . . . . 25.0 109.912 177.437 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.84 -37.16 86.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.148 0.499 . . . . 25.0 110.117 178.472 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.27 -35.23 75.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.823 0.344 . . . . 25.0 110.628 176.311 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -37.26 86.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.954 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.96 -49.81 73.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.395 . . . . 25.0 110.579 178.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.29 -40.12 81.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.085 0.469 . . . . 25.0 112.146 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.0 t -84.89 -15.57 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.325 0.861 . . . . 25.0 113.325 -174.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.21 30.49 67.27 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.153 -0.546 . . . . 25.0 114.289 176.321 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.8 pt -135.44 147.05 60.27 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 -178.858 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.94 135.91 46.27 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 116.722 -1.719 . . . . 25.0 114.519 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.53 -29.26 70.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.367 0.603 . . . . 25.0 109.686 175.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.22 65.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.276 -179.343 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -102.64 11.36 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.893 0.331 . . . . 25.0 111.893 -176.158 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.5 p -130.25 157.79 41.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.613 0.721 . . . . 25.0 112.0 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -117.24 131.09 56.91 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.57 129.46 68.11 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.612 -0.722 . . . . 25.0 109.506 -176.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 66.3 t -132.76 138.71 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.811 0.844 . . . . 25.0 110.614 -169.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -139.38 140.11 37.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.128 -1.064 . . . . 25.0 108.128 176.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 42.95 24.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.219 0.608 . . . . 25.0 111.502 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 60.77 18.71 8.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.761 1.763 . . . . 25.0 115.761 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -130.25 140.09 37.61 Favored Pre-proline 0 N--CA 1.473 0.72 0 O-C-N 121.14 -0.975 . . . . 25.0 109.436 174.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.05 146.16 57.58 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 116.071 -2.152 . . . . 25.0 110.976 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.63 74.08 9.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 37.1 p -72.29 -35.69 68.75 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -174.274 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -82.69 98.79 9.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.393 0.616 . . . . 25.0 109.906 -173.563 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -70.85 -24.54 62.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.744 -178.129 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -73.0 -18.9 61.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.68 148.05 38.97 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -84.27 168.32 15.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 170.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.25 -35.37 80.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.918 -0.489 . . . . 25.0 110.8 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.25 71.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.826 175.117 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.9 m -70.69 -16.47 62.8 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.089 0.403 . . . . 25.0 112.089 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.16 -9.38 27.97 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 174.448 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.56 26.62 56.44 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.967 -0.853 . . . . 25.0 110.967 -175.208 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.69 82.05 2.66 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 121.695 0.759 . . . . 25.0 110.432 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -69.44 160.55 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.738 -1.119 . . . . 25.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -57.42 129.23 40.87 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.071 -0.968 . . . . 25.0 110.116 174.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.72 -9.89 73.04 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.045 -0.98 . . . . 25.0 113.702 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 162.26 28.68 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 118.336 1.068 . . . . 25.0 111.67 -179.462 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.37 130.63 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 -171.454 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.9 t -107.48 137.49 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 177.103 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.8 mt -109.26 126.73 66.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 179.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.7 tt -118.15 133.34 55.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.151 -1.425 . . . . 25.0 107.151 -178.73 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -119.25 132.56 55.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.196 0.522 . . . . 25.0 111.805 -178.7 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 114.881 -1.054 . . . . 25.0 108.655 173.573 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 122.566 1.174 . . . . 25.0 113.106 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.73 -39.48 2.71 Favored Glycine 0 C--N 1.342 0.892 0 O-C-N 121.135 -0.978 . . . . 25.0 111.784 -176.851 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 57.41 20.92 6.37 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 115.135 1.531 . . . . 25.0 115.135 173.539 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -140.42 130.48 24.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.768 0.318 . . . . 25.0 110.484 177.498 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -157.09 84.39 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 175.123 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -71.56 167.84 18.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.361 -0.536 . . . . 25.0 110.377 -178.074 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -140.86 -56.43 0.51 Allowed 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.21 179.37 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.9 m170 54.25 25.57 5.96 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 175.208 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -73.11 148.19 44.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.464 -0.773 . . . . 25.0 109.46 177.135 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -138.02 60.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 179.346 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -136.17 165.61 25.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -177.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -141.26 156.32 45.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 178.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 p -87.57 172.28 9.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.451 -0.574 . . . . 25.0 109.451 178.619 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -147.35 -55.95 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 176.351 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.37 -163.83 24.21 Favored Glycine 0 C--O 1.226 -0.395 0 N-CA-C 111.298 -0.721 . . . . 25.0 111.298 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -159.59 159.39 33.15 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.365 -2.457 . . . . 25.0 104.365 -179.351 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -141.46 150.69 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.316 -1.364 . . . . 25.0 107.316 177.098 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -134.48 156.99 47.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.768 -1.938 . . . . 25.0 105.768 179.284 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.12 -174.33 46.35 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 109.517 -1.433 . . . . 25.0 109.517 -178.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -132.83 128.71 37.28 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.696 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.25 169.44 18.22 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 102.308 -3.219 . . . . 25.0 102.308 175.06 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -142.72 168.93 18.55 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -176.513 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.05 130.64 53.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -178.331 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -121.06 148.77 43.7 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 177.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -99.53 143.38 29.83 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.836 -1.172 . . . . 25.0 107.836 178.266 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -125.11 129.46 73.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -119.49 110.85 17.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.3 m -97.56 124.22 41.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -114.18 132.74 62.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.066 0.46 . . . . 25.0 111.722 -174.317 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -116.86 145.63 43.44 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 105.612 -1.996 . . . . 25.0 105.612 170.209 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.89 -9.15 57.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.149 0.5 . . . . 25.0 110.581 176.381 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -99.7 25.23 7.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.952 -173.4 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.82 38.57 26.98 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 25.0 113.539 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.65 23.53 14.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.224 -178.716 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -72.18 153.21 41.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.797 0.808 . . . . 25.0 113.153 -171.157 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.8 152.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.633 -1.617 . . . . 25.0 106.633 -177.726 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -139.19 148.16 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.641 -1.244 . . . . 25.0 107.641 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -157.73 177.64 11.15 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.872 -1.899 . . . . 25.0 105.872 -176.389 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.3 m -129.39 151.07 50.43 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 179.109 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.1 mt -124.81 146.44 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.405 0.441 . . . . 25.0 109.996 -177.64 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.51 124.14 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 178.408 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.1 m -144.19 165.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.147 -0.479 . . . . 25.0 111.01 -171.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.546 -0.909 . . . . 25.0 108.546 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.05 80.59 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.87 -0.519 . . . . 25.0 109.986 175.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -94.33 13.46 23.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.507 0.67 . . . . 25.0 112.076 -176.676 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -63.73 129.55 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 178.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.25 148.15 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.655 -177.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 154' ' ' LEU . 1.1 mm? -65.2 -31.36 72.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.643 -0.423 . . . . 25.0 110.621 175.387 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.23 -48.29 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 177.509 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.37 -31.56 65.69 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.44 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.1 -43.47 95.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.78 -0.575 . . . . 25.0 112.089 177.146 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -68.09 -36.17 79.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.188 0.518 . . . . 25.0 109.73 179.181 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.6 94.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.995 -1.002 . . . . 25.0 110.573 176.122 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.88 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.554 0.692 . . . . 25.0 109.726 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 45.9 t -62.57 -42.84 99.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.927 176.051 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.92 -42.1 98.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.32 -48.17 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.452 . . . . 25.0 111.987 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -30.52 59.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -176.825 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.0 p -87.42 -26.23 23.39 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -176.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.68 10.7 83.17 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.767 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.32 141.02 26.53 Favored Pre-proline 0 N--CA 1.47 0.541 0 CA-C-N 117.746 0.773 . . . . 25.0 109.233 178.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.5 127.74 22.69 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 115.289 1.226 . . . . 25.0 115.289 -175.299 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.63 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 174.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.07 68.99 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.015 -0.539 . . . . 25.0 111.635 178.803 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -101.23 12.23 37.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.539 -0.3 . . . . 25.0 110.514 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.1 m -129.68 160.18 34.16 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -171.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -133.49 153.52 51.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.8 tt -128.06 137.8 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-O 120.971 0.415 . . . . 25.0 110.376 -174.035 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.77 146.12 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.278 0.631 . . . . 25.0 109.595 -173.453 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -147.51 139.89 24.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 179.457 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.41 41.61 25.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.264 0.554 . . . . 25.0 110.655 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 60.16 13.96 4.2 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.967 1.469 . . . . 25.0 114.967 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -126.62 143.74 47.38 Favored Pre-proline 0 N--CA 1.472 0.633 0 O-C-N 121.78 -0.575 . . . . 25.0 110.25 178.199 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.09 152.28 45.44 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 115.802 -2.332 . . . . 25.0 112.967 -176.759 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 127' ' ' LEU . 53.6 mt -93.48 61.28 3.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 176.823 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -39.18 70.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -172.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -79.74 95.76 6.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 -175.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -70.52 -20.08 62.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.194 -0.912 . . . . 25.0 112.855 -174.097 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -83.01 -4.52 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 -177.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.21 149.22 25.24 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.3 m -79.58 164.83 23.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.77 -0.456 . . . . 25.0 109.77 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.95 -38.96 87.73 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.309 0.576 . . . . 25.0 111.032 177.176 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.68 -30.13 67.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.884 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.5 t -70.97 -17.41 62.66 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.201 0.445 . . . . 25.0 112.201 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -100.28 -5.41 27.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 175.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.24 17.43 71.71 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.504 -0.638 . . . . 25.0 111.504 -176.568 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 18.4 mt -74.21 84.18 1.86 Allowed 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.203 0.525 . . . . 25.0 110.169 -178.169 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.31 170.46 10.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.25 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.23 125.85 22.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 25.0 110.397 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 106.31 -17.71 40.01 Favored Glycine 0 CA--C 1.517 0.192 0 CA-C-N 115.171 -0.922 . . . . 25.0 113.563 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.07 156.79 38.06 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 117.754 0.777 . . . . 25.0 110.44 177.341 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.82 135.47 62.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.447 -0.797 . . . . 25.0 109.634 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.96 158.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 107.601 -1.259 . . . . 25.0 107.601 177.882 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.46 129.58 75.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.396 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.41 139.66 49.31 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.806 -1.553 . . . . 25.0 106.806 177.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -122.15 127.25 49.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 176.258 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 124.114 1.912 . . . . 25.0 109.183 173.578 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 123.426 1.584 . . . . 25.0 114.5 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.81 15.33 64.41 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 114.965 -1.016 . . . . 25.0 115.537 176.782 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -65.86 135.41 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.593 0.696 . . . . 25.0 109.682 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -79.47 56.15 2.1 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -176.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -73.62 152.13 40.63 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 179.387 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -64.48 138.43 58.41 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.698 -0.852 . . . . 25.0 108.698 176.343 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.83 -40.38 91.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.988 0.423 . . . . 25.0 110.02 177.668 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -152.28 -53.76 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 25.0 112.328 178.788 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.89 -179.3 7.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -177.171 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.2 -56.09 2.11 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 173.738 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -159.06 161.51 36.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 179.434 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -153.06 33.84 0.47 Allowed 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.363 0.601 . . . . 25.0 112.0 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.0 t -81.69 122.94 28.27 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.7 p -162.0 170.24 19.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.826 -1.176 . . . . 25.0 107.826 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.02 160.4 10.09 Favored Glycine 0 C--O 1.228 -0.268 0 N-CA-C 111.85 -0.5 . . . . 25.0 111.85 177.842 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -161.2 174.13 14.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 179.372 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.0 mt -128.8 148.63 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 102.839 -3.022 . . . . 25.0 102.839 175.297 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -135.23 161.52 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 178.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.61 -176.57 23.68 Favored Glycine 0 C--O 1.229 -0.174 0 N-CA-C 111.12 -0.792 . . . . 25.0 111.12 -178.343 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -141.25 163.29 33.35 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -161.41 169.39 22.03 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.71 -1.959 . . . . 25.0 105.71 176.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -138.62 159.57 41.77 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 105.909 -1.885 . . . . 25.0 105.909 177.286 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -114.61 129.27 56.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.656 -0.247 . . . . 25.0 110.62 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.29 152.58 41.24 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 177.253 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.8 m -102.2 142.56 33.26 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.794 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.1 127.6 72.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.69 -1.226 . . . . 25.0 107.69 176.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -114.98 115.0 26.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 179.118 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.9 t -104.12 116.59 32.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.864 0.364 . . . . 25.0 111.089 -178.649 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.0 t -98.57 128.55 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -109.77 150.59 28.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.863 -1.903 . . . . 25.0 105.863 171.053 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -53.01 -40.52 63.91 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -178.902 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.28 22.8 1.41 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 -173.649 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.7 mt 60.37 26.24 15.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.35 1.071 . . . . 25.0 110.836 -179.412 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -85.53 25.95 0.99 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.273 -1.33 . . . . 25.0 108.547 175.449 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -72.39 155.85 39.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.798 -171.086 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.28 156.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.143 -1.429 . . . . 25.0 107.143 -174.776 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -138.78 149.66 45.25 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -156.33 175.66 13.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.366 -2.087 . . . . 25.0 105.366 -176.085 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.2 m -125.87 151.71 46.49 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 39.0 mt -123.55 139.92 53.52 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.177 0.513 . . . . 25.0 110.433 -178.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -104.1 112.91 26.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.2 m -137.12 166.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.486 -0.325 . . . . 25.0 110.264 -172.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -81.31 159.69 24.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 175.277 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.83 88.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 176.662 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -92.28 13.68 18.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.384 0.612 . . . . 25.0 112.452 -176.815 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -63.05 134.12 55.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.204 -1.036 . . . . 25.0 108.204 177.833 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.79 147.67 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.223 -0.298 . . . . 25.0 110.98 -178.119 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -62.51 -37.41 85.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 172.028 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -56.17 -43.56 78.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.159 0.504 . . . . 25.0 111.357 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.95 -33.21 51.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.066 -179.16 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.47 -44.89 89.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 179.33 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -27.89 69.16 Favored 'General case' 0 C--O 1.216 -0.698 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.738 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -40.3 62.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.48 0.657 . . . . 25.0 109.673 175.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.57 -39.66 94.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.141 -177.24 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.2 p -73.66 -25.33 60.21 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.718 -0.614 . . . . 25.0 111.265 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -35.52 77.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 178.668 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.53 -47.57 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 25.0 111.465 177.608 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.59 -37.93 80.25 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.184 0.516 . . . . 25.0 111.831 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.1 t -78.83 -24.26 44.57 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.054 0.454 . . . . 25.0 111.308 -177.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.67 60.49 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.104 -0.569 . . . . 25.0 112.711 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -134.48 148.15 66.36 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -67.13 135.78 38.5 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 115.541 -2.506 . . . . 25.0 111.397 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -24.71 67.71 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.143 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.415 0.524 . . . . 25.0 112.415 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -100.95 12.81 36.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.401 0.62 . . . . 25.0 109.868 -179.43 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.4 t -139.72 167.73 21.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.076 -0.511 . . . . 25.0 109.803 -173.442 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -121.28 136.4 54.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 175.458 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.3 tt -115.67 132.38 65.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -176.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.3 153.04 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.015 -176.327 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -139.92 135.1 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 177.432 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.11 40.54 28.82 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.528 0.518 . . . . 25.0 110.059 -172.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 58.18 14.57 2.84 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.062 1.504 . . . . 25.0 115.062 -178.438 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -113.32 143.18 28.8 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 179.735 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.97 145.88 63.25 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 116.172 -2.085 . . . . 25.0 113.006 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.524 ' HB3' HD11 ' A' ' 127' ' ' LEU . 17.3 mt -95.08 111.46 23.27 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 178.193 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 73.3 p -122.68 -31.74 3.67 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.136 1.532 . . . . 25.0 115.136 -172.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -85.27 77.99 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -176.841 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -61.42 -22.7 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 -171.512 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.44 -4.04 49.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.638 0.606 . . . . 25.0 112.638 -179.064 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.52 151.49 22.49 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 178.777 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 70.4 p -83.19 166.46 18.59 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 175.563 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.33 -31.21 71.33 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.313 0.578 . . . . 25.0 111.094 -178.792 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.89 -30.15 70.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.625 174.389 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.1 m -71.25 -16.65 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.624 0.231 . . . . 25.0 111.624 178.802 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -98.9 -2.7 36.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 176.134 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 72.51 27.78 68.87 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.954 -0.858 . . . . 25.0 110.954 -177.432 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.38 80.32 2.45 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 121.782 0.801 . . . . 25.0 110.662 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -72.33 162.47 29.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.652 -1.158 . . . . 25.0 112.389 -179.459 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.49 132.9 40.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.753 0.787 . . . . 25.0 110.323 178.502 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 89.11 -1.59 83.0 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.523 -0.762 . . . . 25.0 113.286 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.51 168.56 19.8 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.564 1.182 . . . . 25.0 110.559 176.028 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.86 137.09 55.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 122.5 1.143 . . . . 25.0 112.848 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.54 142.15 27.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.436 -1.691 . . . . 25.0 106.436 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 91.7 mt -116.49 129.64 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.192 -0.669 . . . . 25.0 109.192 -176.261 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 55.6 tp -114.82 135.89 53.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 -179.475 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -132.49 106.59 7.94 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 124.767 2.222 . . . . 25.0 110.345 173.813 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 124.104 1.907 . . . . 25.0 112.85 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.92 91.21 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 113.554 -1.657 . . . . 25.0 112.925 -179.253 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -81.81 85.87 6.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 176.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -70.69 -48.18 56.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.064 -0.516 . . . . 25.0 111.416 -177.782 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -147.01 167.5 23.86 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 -178.9 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -113.46 158.5 20.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 175.749 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -132.51 171.95 13.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.586 0.176 . . . . 25.0 110.64 -177.274 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.445 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 5.9 t-80 63.7 -170.81 0.18 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.97 0.908 . . . . 25.0 110.783 -177.915 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.445 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 4.8 t60 59.15 39.36 23.05 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.001 0.905 . . . . 25.0 111.304 -176.731 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -89.04 163.53 15.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.771 178.797 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -80.05 146.98 31.67 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 175.404 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -138.37 156.41 47.63 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.546 -0.909 . . . . 25.0 108.546 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.8 p -93.32 162.44 14.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 178.428 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.6 p -151.47 163.46 38.96 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 176.783 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.28 156.71 14.99 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 108.237 -1.945 . . . . 25.0 108.237 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -136.27 171.59 14.26 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.614 -1.625 . . . . 25.0 106.614 -179.224 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.8 tt -148.9 141.0 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 106.384 -1.71 . . . . 25.0 106.384 175.425 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 -129.72 170.26 14.06 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 -176.211 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.58 -178.71 33.82 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 105.816 -2.913 . . . . 25.0 105.816 177.372 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -72.63 132.28 43.52 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.749 -1.574 . . . . 25.0 106.749 178.074 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -156.01 165.0 37.74 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.836 -1.912 . . . . 25.0 105.836 -174.385 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -144.57 144.87 31.52 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.449 0.642 . . . . 25.0 111.766 178.892 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 -177.683 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -123.63 154.89 38.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -178.864 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -103.73 139.95 38.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.06 123.09 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.234 -1.024 . . . . 25.0 108.234 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -106.61 116.45 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 177.162 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.5 124.28 41.67 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.1 128.11 70.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.627 -0.715 . . . . 25.0 109.491 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.521 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 54.5 mtp180 -124.06 143.57 50.36 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 177.52 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -65.82 -9.26 27.21 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.066 177.75 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.5 16.0 19.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.346 0.659 . . . . 25.0 111.502 -174.281 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.9 mt 56.77 35.66 26.56 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.724 1.249 . . . . 25.0 110.897 -177.263 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.8 m -106.0 26.04 10.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 113.614 -1.63 . . . . 25.0 111.831 -176.459 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 5.6 mp0 -72.11 147.96 46.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.532 0.682 . . . . 25.0 111.962 -169.118 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -151.88 150.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -177.279 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.6 t -129.11 144.71 51.29 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 177.887 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -153.99 171.2 19.41 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 -176.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.8 p -119.21 146.92 44.79 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 179.455 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -121.74 142.84 49.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 25.0 110.185 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -102.23 115.66 31.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.983 -1.008 . . . . 25.0 108.609 -178.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.75 168.14 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 25.0 111.449 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -90.56 163.15 14.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 172.35 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.48 94.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.631 0.253 . . . . 25.0 111.501 178.188 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.8 14.43 19.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.414 0.626 . . . . 25.0 112.321 -175.115 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.56 128.88 38.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 177.479 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.76 148.67 46.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.927 0.394 . . . . 25.0 111.942 -176.171 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.44 -30.04 71.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 173.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -59.27 -42.58 91.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.999 -0.546 . . . . 25.0 110.91 176.143 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -77.87 -33.85 51.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 -179.772 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.21 -40.26 96.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -66.19 -31.0 71.57 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.757 -0.777 . . . . 25.0 110.811 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.82 64.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.598 . . . . 25.0 109.676 176.498 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.75 -43.36 93.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.004 -179.559 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.9 p -74.86 -25.49 59.01 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.265 -0.574 . . . . 25.0 111.173 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.1 -44.17 85.13 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 175.747 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.25 -46.8 85.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.855 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.09 -36.37 72.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 25.0 112.413 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.6 t -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.998 0.428 . . . . 25.0 111.824 -177.578 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.56 13.18 82.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 121.093 -0.575 . . . . 25.0 113.154 179.242 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.8 pp -128.71 140.49 38.66 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 122.465 -0.432 . . . . 25.0 110.273 -179.662 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.29 135.64 47.57 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 117.404 -1.264 . . . . 25.0 115.267 -176.606 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -27.16 68.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.673 -0.694 . . . . 25.0 109.574 173.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.98 -29.35 66.42 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.002 -0.545 . . . . 25.0 112.334 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -95.88 15.08 21.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.725 0.774 . . . . 25.0 110.159 -177.166 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 70.5 p -146.71 -179.29 6.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.546 -174.824 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -129.32 148.01 51.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.448 -1.316 . . . . 25.0 107.448 178.46 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.4 tt -124.62 127.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 -176.838 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.18 133.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.131 -169.094 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -129.88 136.2 49.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 175.806 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 44.44 25.89 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.455 0.472 . . . . 25.0 111.015 -178.589 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 63.0 8.46 3.21 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.737 1.755 . . . . 25.0 115.737 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.22 139.01 26.94 Favored Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 121.582 -0.698 . . . . 25.0 110.173 178.613 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.37 149.27 56.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 116.284 -2.011 . . . . 25.0 111.757 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.92 98.01 10.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.9 p -104.26 -19.99 13.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.904 1.076 . . . . 25.0 113.904 -175.497 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.87 81.91 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.289 0.566 . . . . 25.0 109.721 -176.038 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -53.24 -38.29 62.85 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.553 1.316 . . . . 25.0 114.553 -175.15 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -82.11 -0.59 45.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 -176.455 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -77.41 145.32 37.26 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 105.832 -1.914 . . . . 25.0 105.832 172.584 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 58.2 p -79.73 163.72 24.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.379 -1.341 . . . . 25.0 107.379 171.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.17 -33.54 76.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.979 0.419 . . . . 25.0 110.106 -179.327 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.2 71.23 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.005 -0.434 . . . . 25.0 110.786 176.168 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.1 m -70.89 -16.47 62.69 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.709 0.29 . . . . 25.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -97.39 -5.92 35.21 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 175.672 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.99 20.87 56.95 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-O 119.496 -0.614 . . . . 25.0 113.813 -178.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.96 84.89 0.97 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 121.724 0.773 . . . . 25.0 110.258 178.482 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -71.73 158.18 36.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.905 -1.043 . . . . 25.0 108.222 173.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -57.84 132.62 53.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 175.418 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.31 -13.33 64.63 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.462 -0.79 . . . . 25.0 113.912 -178.186 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.03 157.24 35.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.166 0.983 . . . . 25.0 110.311 177.434 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.11 136.54 60.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.979 0.895 . . . . 25.0 111.925 -177.078 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.72 139.75 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.22 -1.4 . . . . 25.0 107.22 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.08 121.57 61.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -179.71 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 tt -104.42 131.73 51.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 105.292 -2.114 . . . . 25.0 105.292 179.232 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -129.72 121.52 27.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.701 0.682 . . . . 25.0 112.636 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 124.704 2.193 . . . . 25.0 111.264 176.861 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 122.638 1.209 . . . . 25.0 113.345 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 171.88 -159.76 31.21 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.809 -1.316 . . . . 25.0 109.809 -176.826 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 58.12 -148.07 0.49 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.397 0.679 . . . . 25.0 110.59 179.447 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 65.52 -16.67 0.1 Allowed 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 115.381 1.623 . . . . 25.0 115.381 -177.88 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -70.4 138.87 51.66 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.057 -0.402 . . . . 25.0 110.057 177.012 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -137.37 157.61 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 176.575 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -154.21 163.7 39.71 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 -177.046 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -152.24 175.99 12.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.454 -1.684 . . . . 25.0 106.454 177.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -117.89 144.86 45.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 176.651 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -149.67 168.91 22.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -152.95 177.24 10.98 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.41 -1.7 . . . . 25.0 106.41 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -125.49 152.22 45.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.568 -2.012 . . . . 25.0 105.568 175.772 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.7 t -143.15 152.13 41.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.834 -1.543 . . . . 25.0 106.834 179.018 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.5 p -157.5 169.4 24.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 -177.23 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -164.56 -170.89 30.12 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 107.845 -2.102 . . . . 25.0 107.845 178.414 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -127.09 165.39 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 -179.432 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 79.1 mt -107.08 111.63 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 105.549 -2.019 . . . . 25.0 105.549 176.05 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.99 164.47 12.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 -176.454 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.7 -170.88 23.83 Favored Glycine 0 C--O 1.219 -0.807 0 N-CA-C 110.713 -0.955 . . . . 25.0 110.713 -179.476 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 63.63 10.85 5.3 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.084 0.953 . . . . 25.0 112.984 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -101.78 163.34 12.31 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 177.251 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -139.14 161.79 36.54 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -110.86 133.0 53.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 -178.478 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.18 150.23 48.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 177.575 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.4 m -96.58 140.43 31.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.8 t -125.15 124.65 67.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 178.317 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -112.75 111.83 22.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -97.49 130.29 44.59 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -178.833 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.7 t -118.94 133.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 -117.41 148.99 41.27 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.344 -1.725 . . . . 25.0 106.344 171.865 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.92 -31.42 70.94 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.671 0.272 . . . . 25.0 111.338 -179.479 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.08 27.6 0.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -177.319 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.8 mt 56.87 26.32 11.49 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.545 1.138 . . . . 25.0 113.708 177.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.47 25.83 1.36 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.798 0.839 . . . . 25.0 111.509 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -72.46 150.4 43.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.172 -170.517 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.91 157.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 -174.156 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.2 t -138.26 147.55 43.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 177.163 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -159.34 -178.47 7.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 -177.148 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -130.19 151.73 50.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.872 -0.418 . . . . 25.0 109.872 178.325 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.08 147.62 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.353 0.408 . . . . 25.0 110.094 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -102.62 127.6 49.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 176.082 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.24 166.9 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.285 -174.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.04 163.05 22.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 172.384 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.71 0.29 . . . . 25.0 110.816 177.398 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -96.89 19.58 12.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.683 0.754 . . . . 25.0 112.414 -174.201 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.41 127.6 32.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 177.038 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.76 152.19 45.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.656 0.265 . . . . 25.0 111.198 -176.831 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.428 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.6 mm? -68.28 -27.04 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.188 -0.32 . . . . 25.0 111.16 175.018 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.407 ' HB2' HD22 ' A' ' 157' ' ' ASN . 83.6 t60 -65.6 -45.42 83.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 175.572 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.01 -41.07 78.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.655 0.74 . . . . 25.0 109.36 178.831 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.58 -42.81 97.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.526 0.936 . . . . 25.0 113.526 -178.193 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.428 HH21 ' HB3' ' A' ' 127' ' ' LEU . 20.7 ptp180 -69.95 -27.89 65.11 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 119.734 -0.787 . . . . 25.0 111.166 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.13 66.19 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 175.406 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.8 -40.15 95.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.62 0.724 . . . . 25.0 109.351 177.497 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.37 -42.35 96.22 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.255 176.339 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.13 -41.02 95.96 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 122.447 0.299 . . . . 25.0 110.573 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.89 -47.82 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 25.0 110.944 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -69.39 -41.51 76.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.412 0.625 . . . . 25.0 112.059 -177.029 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.8 t -83.28 -20.34 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.928 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.49 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.02 179.508 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.2 pp -126.87 140.69 38.36 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 122.592 -0.358 . . . . 25.0 110.469 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.14 125.91 16.79 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 117.319 -1.321 . . . . 25.0 113.744 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.59 69.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 25.0 110.09 176.377 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.9 -25.53 68.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.884 -0.598 . . . . 25.0 112.371 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -99.31 19.37 15.58 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.182 0.515 . . . . 25.0 110.007 -178.075 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.2 t -136.73 161.08 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 116.027 1.862 . . . . 25.0 116.027 -171.29 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.98 154.33 44.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.091 -1.448 . . . . 25.0 107.091 172.495 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.8 tt -128.11 133.92 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 109.781 -0.452 . . . . 25.0 109.781 -174.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.34 138.92 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.819 0.848 . . . . 25.0 111.2 -169.731 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -135.54 136.77 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.419 -1.326 . . . . 25.0 107.419 175.745 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.28 43.87 23.18 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.48 0.487 . . . . 25.0 111.536 -178.693 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 61.09 13.54 4.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.764 1.765 . . . . 25.0 115.764 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.0 134.65 24.41 Favored Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 121.632 -0.668 . . . . 25.0 109.725 175.916 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.26 145.74 55.1 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 116.316 -1.989 . . . . 25.0 111.608 179.563 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -90.29 73.83 7.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 28.7 p -68.84 -35.34 76.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.178 -0.919 . . . . 25.0 112.611 -174.466 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.28 92.21 8.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 -175.567 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.407 HD22 ' HB2' ' A' ' 128' ' ' HIS . 14.5 p-10 -67.82 -24.2 65.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.519 -0.764 . . . . 25.0 112.898 -175.231 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -81.17 -5.19 57.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.261 0.467 . . . . 25.0 112.261 -177.786 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -88.62 148.59 23.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.2 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 89.3 p -86.65 167.73 14.25 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -178.89 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.96 -41.22 99.45 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 116.198 -0.455 . . . . 25.0 111.504 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.37 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.085 -0.384 . . . . 25.0 110.934 176.484 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 66.8 m -68.53 -17.97 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.224 -0.298 . . . . 25.0 111.693 178.092 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.94 -4.9 25.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 25.0 110.204 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.6 25.13 51.59 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-O 119.679 -0.511 . . . . 25.0 114.183 -179.232 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.9 84.61 0.95 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.129 0.965 . . . . 25.0 111.174 178.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -67.37 156.21 37.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.322 -0.853 . . . . 25.0 111.641 176.706 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.26 130.29 34.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 25.0 109.761 173.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.65 -0.65 74.17 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.89 -0.596 . . . . 25.0 113.848 179.501 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 174.72 10.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.328 1.064 . . . . 25.0 110.55 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.13 139.56 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.975 0.893 . . . . 25.0 113.238 -173.764 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.2 t -114.19 138.03 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 107.583 -1.265 . . . . 25.0 107.583 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.1 mp -109.49 123.52 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 -178.553 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.8 tt -109.89 137.71 47.29 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -126.98 111.48 14.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.253 0.549 . . . . 25.0 110.44 -179.638 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 123.68 1.705 . . . . 25.0 111.366 -177.055 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 124.621 2.153 . . . . 25.0 112.864 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -146.41 146.21 15.98 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 113.409 -1.723 . . . . 25.0 109.482 176.709 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -81.71 -27.84 33.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -175.57 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.3 m80 50.88 38.28 19.54 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 179.429 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -100.77 141.74 33.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.204 -0.453 . . . . 25.0 109.886 -177.366 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -114.52 159.73 20.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 -177.826 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -138.92 166.56 24.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 -177.213 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -139.65 153.7 47.36 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -123.21 156.86 34.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -177.631 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -139.03 166.15 25.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 -175.272 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -99.07 156.52 16.89 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 -179.735 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -73.51 153.48 40.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.002 -0.37 . . . . 25.0 110.002 178.494 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 t -76.81 158.64 30.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 176.825 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.2 t -148.41 159.63 43.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.292 -1.373 . . . . 25.0 107.292 178.588 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -167.48 167.12 39.75 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 108.57 -1.812 . . . . 25.0 108.57 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -140.98 168.56 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 -178.284 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.7 pt -129.13 161.93 37.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 106.47 -1.678 . . . . 25.0 106.47 175.704 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -75.17 -31.08 60.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.13 0.491 . . . . 25.0 111.817 -177.887 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.34 -151.33 41.67 Favored Glycine 0 CA--C 1.518 0.222 0 N-CA-C 109.934 -1.266 . . . . 25.0 109.934 -177.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -154.41 146.85 23.99 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 176.885 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -143.23 171.0 14.7 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 104.202 -2.518 . . . . 25.0 104.202 171.024 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -139.66 168.56 19.55 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.164 -1.05 . . . . 25.0 108.164 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 tp -126.11 130.77 51.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.299 -0.26 . . . . 25.0 110.299 -177.224 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.95 140.94 51.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 177.169 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.4 m -93.35 138.01 32.11 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 177.485 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.3 t -125.17 125.11 68.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 179.443 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -110.52 117.18 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 177.864 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.7 t -100.99 126.42 47.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 25.0 110.222 179.337 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.5 t -112.05 128.24 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.989 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -117.96 144.82 45.18 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.976 -1.861 . . . . 25.0 105.976 168.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -66.97 -12.22 59.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.194 0.521 . . . . 25.0 110.911 176.005 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.48 16.52 8.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.849 -1.069 . . . . 25.0 111.581 -176.028 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.8 mt 56.19 30.48 16.61 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.266 1.027 . . . . 25.0 113.064 179.311 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 26.19 5.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.491 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -72.55 145.57 47.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.281 -0.872 . . . . 25.0 109.385 -166.294 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -149.97 144.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.792 -1.094 . . . . 25.0 109.541 -172.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.1 t -124.77 143.17 50.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 177.799 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.87 174.0 14.64 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.485 -2.043 . . . . 25.0 105.485 -177.901 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -135.35 142.45 45.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.79 143.36 45.21 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.604 0.565 . . . . 25.0 110.905 -176.675 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -102.27 120.38 40.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 177.111 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.88 167.33 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.126 -0.488 . . . . 25.0 109.901 -171.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.34 162.03 22.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 174.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 176.014 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.79 17.28 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.605 0.716 . . . . 25.0 112.009 -176.749 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -65.81 131.73 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 177.51 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.37 149.01 50.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.033 0.133 . . . . 25.0 110.662 -176.03 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.542 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.3 mm? -68.5 -27.05 65.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.766 -0.584 . . . . 25.0 110.573 174.752 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -66.47 -42.51 87.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.427 0.632 . . . . 25.0 109.498 176.76 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -41.1 68.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.714 0.769 . . . . 25.0 109.484 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.64 -46.49 88.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.542 HH21 ' HB3' ' A' ' 127' ' ' LEU . 19.7 ptp180 -68.4 -27.9 66.63 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 119.964 -0.694 . . . . 25.0 111.22 -179.338 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.08 78.12 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 175.48 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.14 -38.65 91.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.797 -0.446 . . . . 25.0 109.797 176.726 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.56 -37.44 87.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.214 -0.304 . . . . 25.0 110.998 177.592 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.03 -42.44 97.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.5 -44.49 96.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.737 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.45 -36.17 73.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -178.83 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.2 p -87.54 -20.69 26.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -175.091 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.05 30.18 76.45 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.064 -0.589 . . . . 25.0 114.556 176.27 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 pp -124.74 146.27 52.37 Favored Pre-proline 0 N--CA 1.47 0.526 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -66.13 124.79 13.07 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 116.082 -2.145 . . . . 25.0 112.053 178.073 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -26.47 68.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 25.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.16 -22.87 67.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -99.62 10.14 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 25.0 110.738 -178.796 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 p -130.77 171.47 13.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -170.387 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.1 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 174.314 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.08 136.17 60.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 -176.507 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.4 m -133.78 152.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.178 0.513 . . . . 25.0 111.377 -176.875 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -139.21 137.36 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.056 -2.572 . . . . 25.0 104.056 174.892 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 35.22 17.25 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.274 0.559 . . . . 25.0 110.345 -173.643 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 58.91 20.0 7.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -120.2 142.17 33.12 Favored Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 176.94 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -72.29 144.9 42.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 116.704 -1.731 . . . . 25.0 114.33 -175.768 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.85 67.32 8.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 177.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 40.2 p -70.83 -28.49 64.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.812 -176.574 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -85.37 112.98 21.33 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 -178.452 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -94.77 -16.83 22.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.85 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.82 -32.35 35.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.071 0.463 . . . . 25.0 109.818 -176.856 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -56.26 149.83 15.58 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.756 175.686 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -89.18 170.2 10.81 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 170.178 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.21 -33.74 76.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.229 0.537 . . . . 25.0 110.132 -179.435 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.88 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.477 176.902 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 14.2 m -68.65 -16.51 63.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 179.002 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -102.03 -6.28 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 25.0 110.439 175.656 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.36 24.91 71.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -174.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.84 80.41 1.61 Allowed 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.638 0.733 . . . . 25.0 109.724 -178.754 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -76.15 165.81 24.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.035 -0.984 . . . . 25.0 112.033 -177.779 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.47 128.48 34.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.346 -0.843 . . . . 25.0 108.931 172.07 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.19 -11.6 58.58 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.449 -0.796 . . . . 25.0 113.579 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.18 159.54 31.47 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 118.067 0.933 . . . . 25.0 109.901 176.788 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -126.28 137.52 57.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.97 0.891 . . . . 25.0 110.71 -177.582 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.43 144.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -177.278 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.9 mt -119.52 129.23 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -177.684 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.6 tt -117.98 135.42 54.16 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.493 -1.669 . . . . 25.0 106.493 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -131.13 128.55 40.35 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.574 0.625 . . . . 25.0 112.144 -179.06 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 125.854 2.74 . . . . 25.0 111.706 177.534 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 122.767 1.27 . . . . 25.0 113.598 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.89 -168.99 38.08 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 110.202 -1.159 . . . . 25.0 110.202 -176.825 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -139.37 157.02 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 -178.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 m80 56.51 -157.82 0.26 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.242 0.964 . . . . 25.0 112.13 178.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -128.33 133.43 48.7 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 179.773 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -88.35 77.92 8.06 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 -178.58 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -60.18 -39.5 86.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.413 -178.708 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 13.1 t-80 58.75 -175.69 0.09 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.746 0.818 . . . . 25.0 112.411 178.066 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.468 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 83.3 m-70 -132.93 60.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -178.821 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -63.42 132.76 52.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.42 -177.401 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -160.07 174.93 13.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.834 -1.543 . . . . 25.0 106.834 -179.127 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -129.2 -41.4 1.41 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.319 0.387 . . . . 25.0 110.686 174.717 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m 53.59 -153.0 0.28 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.611 0.569 . . . . 25.0 111.488 179.509 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.7 m -148.93 154.04 38.85 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.431 -1.692 . . . . 25.0 106.431 178.277 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.42 -17.49 0.76 Allowed Glycine 0 C--O 1.222 -0.611 0 N-CA-C 114.955 0.742 . . . . 25.0 114.955 -178.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -78.18 126.53 30.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 178.681 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.1 pt -132.98 175.12 12.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 107.749 -1.204 . . . . 25.0 107.749 -179.181 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 63.57 -179.74 0.16 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.472 1.108 . . . . 25.0 113.805 177.77 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.05 170.17 39.17 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 108.354 -1.898 . . . . 25.0 108.354 -178.584 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.32 110.3 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.613 0.706 . . . . 25.0 109.519 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.97 170.08 22.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 -179.112 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.51 165.78 25.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 179.399 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -117.5 137.76 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.237 -0.282 . . . . 25.0 110.237 -174.634 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.19 153.1 40.53 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 174.114 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -108.45 142.6 38.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.273 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.58 131.93 72.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.553 -1.277 . . . . 25.0 107.553 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -116.23 116.49 27.88 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 175.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.8 t -97.52 125.05 41.99 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -179.434 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.09 130.99 63.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.743 0.783 . . . . 25.0 111.788 -176.816 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -124.12 141.11 52.33 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 105.154 -2.165 . . . . 25.0 105.154 172.608 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -68.03 -13.79 62.47 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.124 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -95.63 22.95 6.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.567 . . . . 25.0 110.277 -177.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt 54.97 29.59 12.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.556 1.143 . . . . 25.0 113.248 -179.561 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.59 25.84 1.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.989 -1.005 . . . . 25.0 110.267 176.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.55 149.98 43.56 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.71 -1.132 . . . . 25.0 111.683 -167.878 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.58 154.81 8.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 -177.798 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.22 148.36 46.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 174.791 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -156.23 172.32 18.67 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 -176.63 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.0 m -129.69 149.79 51.29 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.56 146.52 52.09 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.908 -178.264 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -102.91 125.36 49.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 178.044 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.0 m -138.93 171.35 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.236 -1.024 . . . . 25.0 108.236 -172.813 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.21 164.45 13.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.916 -1.142 . . . . 25.0 107.916 175.46 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.44 74.12 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 176.249 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -91.62 19.38 6.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 25.0 112.053 -178.219 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -73.56 136.66 44.04 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -64.27 141.93 58.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.076 -0.342 . . . . 25.0 110.076 179.23 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.13 -33.14 75.09 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 174.379 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.9 -43.23 98.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.04 0.447 . . . . 25.0 111.141 176.718 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -72.19 -34.03 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 -179.745 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -64.18 -42.84 96.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.997 0.369 . . . . 25.0 111.997 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -66.73 -31.44 72.1 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.69 -0.804 . . . . 25.0 110.704 179.169 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.4 65.28 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.276 0.56 . . . . 25.0 110.261 178.098 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.37 -38.45 91.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.43 0.633 . . . . 25.0 109.46 178.349 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.49 -43.03 98.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.647 176.078 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.44 -41.72 98.94 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.486 0.315 . . . . 25.0 110.332 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.96 -45.29 89.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.601 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -69.05 -39.66 79.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.363 0.601 . . . . 25.0 111.786 -177.507 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.2 p -83.99 -19.46 34.5 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -176.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.94 79.21 Favored Glycine 0 CA--C 1.517 0.157 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.743 176.217 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -127.49 142.72 44.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.31 143.02 75.36 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 116.578 -1.815 . . . . 25.0 115.233 -174.411 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.21 70.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.497 -0.774 . . . . 25.0 109.267 174.784 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.09 70.16 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.083 -179.571 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -93.33 7.29 45.03 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.015 0.436 . . . . 25.0 110.264 -178.345 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 m -131.44 158.36 41.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.829 1.418 . . . . 25.0 114.829 -171.647 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.08 150.5 49.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.224 -1.769 . . . . 25.0 106.224 172.596 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.82 137.84 56.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 -176.466 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.1 p -140.18 142.62 31.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.867 -1.161 . . . . 25.0 107.867 -172.583 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -135.64 132.25 36.8 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 -177.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.0 44.97 25.63 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.569 0.543 . . . . 25.0 110.441 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 62.11 8.69 2.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.783 1.772 . . . . 25.0 115.783 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -115.54 131.76 23.47 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.622 -0.673 . . . . 25.0 109.782 177.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.66 146.48 67.14 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 116.029 -2.18 . . . . 25.0 112.086 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.9 mt -89.56 89.59 7.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 70.9 p -94.4 -12.55 27.63 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -173.29 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -105.39 104.94 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.438 0.637 . . . . 25.0 110.026 -176.922 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -70.5 -26.71 63.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.48 -0.782 . . . . 25.0 113.1 -178.571 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.57 -9.17 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.588 0.709 . . . . 25.0 112.483 -172.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -75.98 136.61 40.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.7 p -73.92 161.8 29.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.655 -1.609 . . . . 25.0 106.655 172.702 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.73 -33.62 75.52 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.375 0.607 . . . . 25.0 110.244 -179.566 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.52 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.951 176.576 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.4 m -70.86 -16.49 62.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.707 0.262 . . . . 25.0 111.707 179.173 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -96.84 -9.07 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.533 0.206 . . . . 25.0 110.526 175.441 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.98 20.69 64.67 Favored Glycine 0 N--CA 1.454 -0.162 0 N-CA-C 111.113 -0.795 . . . . 25.0 111.113 -176.025 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.5 81.54 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.888 0.852 . . . . 25.0 110.118 -178.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -72.39 169.58 16.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.515 -1.221 . . . . 25.0 113.083 -178.808 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.59 128.65 38.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.97 -1.014 . . . . 25.0 109.635 173.005 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.39 0.47 82.36 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.281 -0.872 . . . . 25.0 113.763 178.327 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.37 162.83 26.17 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.643 1.222 . . . . 25.0 110.837 178.083 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.27 136.44 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -172.699 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.97 161.18 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 175.207 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 98.2 mt -122.12 132.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -178.204 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 12.5 tp -115.61 139.96 49.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 179.119 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -130.41 121.64 26.29 Favored 'General case' 0 CA--C 1.508 -0.642 0 O-C-N 121.915 -0.491 . . . . 25.0 109.755 175.195 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 123.474 1.607 . . . . 25.0 111.514 -178.669 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 122.576 1.179 . . . . 25.0 113.884 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.28 24.27 73.46 Favored Glycine 0 C--N 1.345 1.061 0 O-C-N 121.476 -0.765 . . . . 25.0 113.333 -179.672 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -72.41 149.54 44.18 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.486 -0.42 . . . . 25.0 110.804 -179.366 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' CG ' ' H ' ' A' ' 84' ' ' HIS . 7.9 t60 56.68 -129.06 1.84 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.484 0.714 . . . . 25.0 110.292 178.666 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.409 ' H ' ' CG ' ' A' ' 83' ' ' HIS . 5.2 t60 51.99 45.66 27.91 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 179.042 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -136.05 153.4 51.35 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.109 -0.369 . . . . 25.0 110.788 -179.455 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -139.4 142.49 37.5 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -131.53 29.28 4.55 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.417 0.627 . . . . 25.0 110.685 -176.07 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -70.69 135.31 48.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.629 . . . . 25.0 109.823 -177.687 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -152.99 150.16 28.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 -177.578 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -139.16 145.52 39.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.664 -1.606 . . . . 25.0 106.664 176.486 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -140.89 149.83 42.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -177.56 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 m -143.71 151.12 39.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 105.625 -1.991 . . . . 25.0 105.625 176.29 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -158.85 167.08 30.37 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 -177.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.34 155.28 24.52 Favored Glycine 0 CA--C 1.517 0.215 0 N-CA-C 111.622 -0.591 . . . . 25.0 111.622 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -155.93 164.19 38.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 106.622 -1.622 . . . . 25.0 106.622 -179.335 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 82.4 mt -120.21 110.75 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.593 -2.003 . . . . 25.0 105.593 178.089 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -159.0 178.38 10.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.478 -0.934 . . . . 25.0 108.478 -174.435 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.31 -177.39 27.3 Favored Glycine 0 N--CA 1.454 -0.134 0 N-CA-C 111.305 -0.718 . . . . 25.0 111.305 -179.771 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.4 ttm105 -158.93 150.09 20.3 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 106.807 -1.553 . . . . 25.0 106.807 -179.82 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -156.21 176.16 13.04 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 103.957 -2.609 . . . . 25.0 103.957 177.289 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -121.07 168.54 11.43 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 172.793 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -120.34 138.5 53.69 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 -176.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -127.55 150.07 49.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.386 -1.339 . . . . 25.0 107.386 174.108 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -110.39 133.92 52.81 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.2 133.56 67.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 -178.418 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.88 115.96 28.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 173.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -97.51 129.29 44.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 25.0 109.748 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.6 t -112.69 127.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.434 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.588 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 31.6 mmm-85 -122.06 140.73 52.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.665 -1.605 . . . . 25.0 106.665 -178.387 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.51 -17.85 64.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.776 0.322 . . . . 25.0 111.689 178.114 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.95 13.71 4.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -176.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.0 mt 58.4 35.25 24.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.954 1.359 . . . . 25.0 110.128 -176.212 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -106.01 26.03 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.126 -1.852 . . . . 25.0 110.939 -175.752 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.588 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 14.0 mp0 -72.42 148.07 45.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.574 0.702 . . . . 25.0 110.993 -168.356 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.26 155.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 -174.366 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -135.74 146.69 47.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 175.506 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -154.55 173.73 15.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 -175.385 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.3 m -129.94 146.93 51.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 178.724 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.0 mt -120.91 145.84 47.25 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.044 0.45 . . . . 25.0 111.45 -176.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -103.61 113.58 27.2 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.15 163.05 27.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.513 -0.18 . . . . 25.0 110.513 -174.229 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -82.17 163.25 22.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 175.558 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.62 93.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.653 -0.249 . . . . 25.0 111.022 176.824 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -94.73 15.45 18.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.481 0.658 . . . . 25.0 112.64 -175.364 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.9 132.42 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 176.469 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.64 151.41 47.4 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.151 -0.343 . . . . 25.0 111.742 -177.294 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.29 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 174.25 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.406 0.622 . . . . 25.0 110.417 175.846 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -69.56 -39.44 77.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.532 0.682 . . . . 25.0 109.338 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.58 -44.26 96.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.902 0.705 . . . . 25.0 112.902 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -69.27 -27.89 65.83 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.728 -0.789 . . . . 25.0 110.426 -179.266 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.11 -40.67 71.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.099 0.476 . . . . 25.0 109.851 174.865 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.1 -36.13 82.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.931 0.872 . . . . 25.0 109.744 178.195 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.28 -38.97 92.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.746 175.572 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -36.32 83.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.8 -49.56 76.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 25.0 111.203 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.86 -32.09 65.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.278 0.561 . . . . 25.0 111.839 -178.528 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t -81.38 -21.11 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -177.241 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.21 12.47 84.31 Favored Glycine 0 CA--C 1.518 0.231 0 N-CA-C 114.475 0.55 . . . . 25.0 114.475 177.681 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.8 pt -135.52 145.97 55.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 117.307 0.554 . . . . 25.0 109.933 -179.486 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -63.71 135.91 51.08 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 117.005 -1.53 . . . . 25.0 113.775 -178.86 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.6 -24.66 67.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.115 178.173 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.11 69.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 25.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -92.53 19.11 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.389 0.614 . . . . 25.0 110.287 -177.259 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -145.67 170.5 16.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 -177.169 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -125.13 127.81 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 178.789 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.2 tt -97.03 132.57 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 -179.114 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.45 135.04 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 123.819 0.847 . . . . 25.0 110.362 -170.55 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -135.96 138.91 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 176.382 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.49 41.27 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.34 0.59 . . . . 25.0 110.284 -176.335 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 58.92 12.2 2.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.464 1.653 . . . . 25.0 115.464 -178.029 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -116.05 139.66 25.36 Favored Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 121.78 -0.575 . . . . 25.0 110.273 176.617 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 150.46 56.8 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 115.839 -2.307 . . . . 25.0 112.024 177.693 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.13 95.36 7.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.396 -0.965 . . . . 25.0 108.396 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.6 p -83.88 -23.31 31.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 25.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -90.78 115.87 28.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.713 -0.676 . . . . 25.0 109.486 -177.924 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -94.65 -22.91 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 -176.893 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.82 -8.74 59.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 118.134 2.642 . . . . 25.0 118.134 -165.27 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 164' ' ' TYR . 97.1 mtt180 -93.03 163.85 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 176.38 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -79.59 165.34 23.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.183 177.223 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.86 -41.77 96.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.494 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.76 -31.13 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.734 0.302 . . . . 25.0 110.758 177.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -71.32 -16.49 62.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 178.599 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 159' ' ' ARG . 69.2 m-85 -102.0 -2.49 29.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.617 0.246 . . . . 25.0 110.472 175.457 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.29 15.75 66.0 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 114.393 0.517 . . . . 25.0 114.393 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.84 81.71 2.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 117.959 0.879 . . . . 25.0 109.326 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 170.85 15.83 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.491 0.662 . . . . 25.0 112.625 -178.072 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -53.02 118.03 3.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.52 75.34 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-O 119.536 -0.591 . . . . 25.0 114.101 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -72.13 160.37 32.57 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.996 0.898 . . . . 25.0 110.288 179.244 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.13 130.11 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.732 0.777 . . . . 25.0 112.57 -172.475 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.96 151.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 106.828 -1.545 . . . . 25.0 106.828 177.56 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 64.0 mt -126.08 126.14 69.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 -178.305 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 38.6 tp -102.85 131.61 49.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 177.335 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -128.39 113.6 15.78 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.705 0.632 . . . . 25.0 112.705 -177.699 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 124.677 2.179 . . . . 25.0 111.056 174.157 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 122.971 1.367 . . . . 25.0 113.749 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.08 168.11 41.25 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 109.083 -1.607 . . . . 25.0 109.083 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -77.62 138.16 38.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 117.265 0.533 . . . . 25.0 110.25 -179.162 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -152.07 157.05 41.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.332 -1.729 . . . . 25.0 106.332 176.275 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -130.23 135.92 48.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 -178.464 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -121.66 23.22 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.947 -0.76 . . . . 25.0 108.947 -177.872 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 65.59 174.59 0.22 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.385 -1.28 . . . . 25.0 109.162 -170.587 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -135.61 138.15 42.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.289 -1.004 . . . . 25.0 108.289 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -137.78 156.95 47.41 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.351 -1.722 . . . . 25.0 106.351 178.492 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -139.53 132.61 29.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.378 -1.341 . . . . 25.0 107.378 -177.254 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -126.65 0.67 6.8 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -172.794 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -69.53 143.22 53.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 178.869 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.7 t 61.41 28.93 18.24 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 -177.912 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m -83.66 165.09 19.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 174.444 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.22 123.91 6.51 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.485 -0.864 . . . . 25.0 111.272 177.347 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -92.17 98.69 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.074 0.464 . . . . 25.0 109.902 178.661 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.25 62.92 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 179.765 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -97.55 -15.35 20.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.177 -0.92 . . . . 25.0 110.942 -175.564 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.41 157.92 32.93 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.699 -0.682 . . . . 25.0 113.288 179.024 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -171.63 38.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -131.2 173.64 10.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.765 -1.939 . . . . 25.0 105.765 -175.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -109.26 166.66 10.69 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.252 0.548 . . . . 25.0 110.122 178.892 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.3 tp -125.22 132.48 52.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 -178.696 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -122.11 153.61 38.47 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 178.525 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.5 m -106.88 141.21 38.47 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.114 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.97 128.38 75.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 179.193 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -113.76 111.0 21.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -97.45 122.71 40.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.227 0.537 . . . . 25.0 110.514 -176.099 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.1 t -105.4 126.41 60.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.172 -178.092 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -119.16 147.62 43.99 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.055 -1.831 . . . . 25.0 106.055 174.067 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -61.0 -33.15 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.693 0.997 . . . . 25.0 113.693 -173.899 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -85.7 27.75 0.83 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -173.644 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt 56.28 27.31 11.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 122.468 1.128 . . . . 25.0 111.629 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.5 m -88.05 25.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.162 -1.381 . . . . 25.0 110.637 179.492 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.37 152.31 42.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.059 -0.973 . . . . 25.0 110.319 -165.154 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -148.64 155.26 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -173.306 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -136.97 149.05 47.3 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 175.441 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -156.68 173.25 17.23 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 105.888 -1.893 . . . . 25.0 105.888 -177.685 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.7 m -128.18 151.19 49.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.6 mt -126.82 142.01 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.27 0.557 . . . . 25.0 111.65 -177.43 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -95.3 115.2 27.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 178.883 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 m -138.26 161.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.323 0.582 . . . . 25.0 111.436 -175.875 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -81.76 161.35 23.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 175.807 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.7 98.22 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 177.642 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -93.87 17.61 11.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.664 0.745 . . . . 25.0 112.565 -176.041 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -66.14 132.78 49.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 177.373 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.25 150.54 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.919 0.34 . . . . 25.0 111.919 -177.646 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.84 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 169.304 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -59.58 -41.6 90.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.759 177.552 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -77.85 -37.14 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.713 0.768 . . . . 25.0 110.03 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -61.13 -43.2 99.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.085 -0.507 . . . . 25.0 112.334 -179.193 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -68.06 -28.08 67.06 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.627 -0.429 . . . . 25.0 111.33 179.14 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.78 68.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 176.471 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.58 -36.55 84.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.479 0.657 . . . . 25.0 109.491 176.21 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.31 -36.28 83.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.805 178.189 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.73 -44.15 97.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.657 -0.498 . . . . 25.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.59 -47.31 86.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.281 -0.418 . . . . 25.0 112.023 -178.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -75.45 -32.54 60.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.808 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 93.6 p -83.68 -23.1 31.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.885 -0.51 . . . . 25.0 112.097 -177.523 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.12 11.06 85.9 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.966 -0.635 . . . . 25.0 113.66 177.578 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.2 pt -127.19 145.21 53.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 178.787 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.89 139.03 66.07 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 116.792 -1.672 . . . . 25.0 114.065 -176.861 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.69 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 174.148 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.5 67.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.077 -0.51 . . . . 25.0 111.869 178.717 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -100.89 9.64 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.762 0.315 . . . . 25.0 110.743 -178.267 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -139.0 160.1 40.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.566 0.698 . . . . 25.0 112.818 -171.379 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -121.41 152.5 38.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 177.726 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -115.79 135.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.5 t -133.92 137.88 51.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.062 0.945 . . . . 25.0 109.423 -173.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.407 ' HB3' HD21 ' A' ' 154' ' ' LEU . 53.8 t80 -142.02 141.48 32.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.397 -1.705 . . . . 25.0 106.397 175.332 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.82 45.3 24.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.9 0.381 . . . . 25.0 110.771 -178.124 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 60.54 10.09 2.37 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.455 1.65 . . . . 25.0 115.455 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -125.78 141.84 40.43 Favored Pre-proline 0 N--CA 1.469 0.498 0 O-C-N 121.741 -0.599 . . . . 25.0 110.434 -177.61 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.57 147.85 46.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 116.185 -2.077 . . . . 25.0 112.855 -178.346 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 149' ' ' TYR . 73.9 mt -95.47 103.24 15.1 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 178.135 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.7 p -112.77 -23.27 10.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.29 1.218 . . . . 25.0 114.29 -173.588 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.33 98.06 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 179.453 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.81 -25.16 66.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.173 -0.921 . . . . 25.0 112.93 -175.848 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.98 -8.63 58.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.132 0.789 . . . . 25.0 113.132 -172.836 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -87.51 145.04 26.41 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 178.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -81.45 166.46 20.34 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 173.362 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.34 -37.42 87.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.518 -0.31 . . . . 25.0 111.401 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.141 -0.35 . . . . 25.0 110.451 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.2 m -69.53 -16.76 63.5 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.656 0.243 . . . . 25.0 111.656 177.621 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -99.0 -6.69 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.578 0.228 . . . . 25.0 110.609 176.008 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.52 18.69 59.81 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.235 -0.507 . . . . 25.0 113.64 -178.247 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.07 84.04 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 117.833 0.817 . . . . 25.0 109.85 178.292 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -66.42 162.15 21.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.174 -0.921 . . . . 25.0 110.448 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -58.88 130.43 46.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 25.0 109.156 173.709 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.44 -3.84 82.06 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.059 -0.973 . . . . 25.0 113.734 179.016 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -76.19 163.98 26.53 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.539 1.169 . . . . 25.0 111.58 178.683 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 23.5 t -116.76 129.14 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 25.0 112.361 -173.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.74 145.46 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.197 -1.779 . . . . 25.0 106.197 174.038 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -113.15 124.89 70.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.974 -1.121 . . . . 25.0 107.974 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 11.7 tp -105.98 140.01 39.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.1 -1.815 . . . . 25.0 106.1 177.789 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -135.01 112.15 10.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -176.28 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.205 -1.242 0 CA-C-O 125.209 2.433 . . . . 25.0 110.688 175.612 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 74.8 mtm . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 124.322 2.01 . . . . 25.0 113.974 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.35 170.32 43.21 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 109.154 -1.578 . . . . 25.0 109.154 -178.886 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 t60 56.41 20.65 4.89 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.927 1.084 . . . . 25.0 113.927 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -70.83 -46.49 62.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 25.0 110.009 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 50.97 -155.65 0.13 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.584 -178.125 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -151.15 112.15 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 179.751 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -99.3 111.85 24.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -178.493 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -150.67 161.24 42.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.081 -0.34 . . . . 25.0 110.081 -177.457 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.51 -47.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.769 -0.65 . . . . 25.0 110.37 177.525 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 73.0 157.77 0.19 Allowed 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.897 1.373 . . . . 25.0 108.729 -173.468 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -117.02 168.23 10.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 -178.226 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -139.17 151.73 46.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 105.871 -1.9 . . . . 25.0 105.871 177.505 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m -139.75 142.2 36.8 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 179.599 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -107.29 5.26 27.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.087 0.47 . . . . 25.0 110.543 -178.891 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.02 178.29 52.32 Favored Glycine 0 CA--C 1.517 0.215 0 N-CA-C 109.277 -1.529 . . . . 25.0 109.277 -174.79 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -142.64 60.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.285 0.542 . . . . 25.0 109.811 179.418 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.7 mp 52.02 44.93 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-O 122.63 1.205 . . . . 25.0 109.0 -178.767 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -84.27 120.46 26.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.025 -0.989 . . . . 25.0 110.371 -175.46 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.8 168.19 35.78 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 109.402 -1.479 . . . . 25.0 109.402 179.343 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -80.84 119.26 23.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 179.286 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -153.78 157.77 39.91 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 176.133 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -146.48 152.82 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 -178.196 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.4 tp -107.33 123.51 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -178.723 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.84 156.38 28.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 -178.813 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.4 m -112.55 138.36 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.962 0.41 . . . . 25.0 110.058 -179.448 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.03 124.12 66.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -103.45 119.0 38.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 174.611 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.6 t -97.55 125.14 42.09 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.2 t -116.73 127.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.455 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 6.4 mtm180 -119.31 146.79 44.97 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 178.674 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.13 -28.94 70.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.503 . . . . 25.0 110.07 176.933 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.55 24.5 1.19 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -175.797 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.8 mt 55.54 38.2 29.9 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.181 0.991 . . . . 25.0 112.744 177.271 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 m -105.85 25.59 10.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.625 -1.17 . . . . 25.0 113.19 -177.576 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.455 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 13.2 mp0 -72.38 146.94 46.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.66 0.743 . . . . 25.0 112.172 -164.843 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.88 154.3 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 -175.542 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 t -130.25 145.09 51.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 176.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -154.24 173.74 15.72 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -176.79 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -127.12 152.63 47.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.11 146.84 52.51 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.926 0.49 . . . . 25.0 109.972 -177.656 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -105.07 126.13 51.74 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.43 165.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 -174.502 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.67 158.97 24.08 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 105.515 -2.031 . . . . 25.0 105.515 172.421 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.96 -35.08 77.42 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 174.489 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -90.75 13.03 17.34 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -177.058 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -67.8 133.98 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 179.421 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.87 150.13 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.454 -0.154 . . . . 25.0 110.905 -179.341 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -34.81 77.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 171.736 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -59.36 -43.55 92.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 25.0 110.663 179.473 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -77.93 -32.13 51.42 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.388 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -63.68 -44.52 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -69.86 -29.19 66.37 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.164 -0.614 . . . . 25.0 110.58 -179.692 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.76 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.439 0.638 . . . . 25.0 109.543 174.873 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.08 -38.48 90.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.108 179.685 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.9 p -77.47 -25.31 50.36 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.652 -0.655 . . . . 25.0 111.516 177.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.6 -37.0 86.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 175.834 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.48 -46.21 90.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 25.0 111.725 178.585 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -77.19 -31.34 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.188 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 80.1 p -84.27 -19.94 33.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.092 -0.38 . . . . 25.0 111.765 -178.176 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.24 12.09 84.68 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 121.304 -0.474 . . . . 25.0 113.898 176.605 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.6 pt -132.52 145.56 57.75 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 117.229 0.515 . . . . 25.0 110.648 -179.24 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.0 134.06 41.32 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 116.797 -1.669 . . . . 25.0 114.478 -177.918 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.62 -24.7 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 25.0 109.618 175.141 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.22 -26.07 65.52 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.95 -0.568 . . . . 25.0 112.091 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -96.3 9.15 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.142 0.496 . . . . 25.0 110.974 -177.248 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.3 p -137.78 172.49 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.386 0.612 . . . . 25.0 111.145 -175.584 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -125.52 138.12 53.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -179.628 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.0 tt -107.37 132.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.839 0.828 . . . . 25.0 109.198 -178.112 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.2 t -122.06 137.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.911 -1.04 . . . . 25.0 109.331 -174.174 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -138.62 135.61 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.245 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.4 41.56 28.37 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.309 0.576 . . . . 25.0 110.38 -175.924 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 59.16 12.1 2.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.527 1.677 . . . . 25.0 115.527 -177.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -117.75 141.46 29.1 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.801 -0.562 . . . . 25.0 109.575 177.202 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.79 149.74 54.71 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 115.214 -2.724 . . . . 25.0 111.845 178.818 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 74.6 mt -92.37 141.79 28.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.37 -1.715 . . . . 25.0 106.37 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.6 p -128.5 -43.58 1.41 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.109 1.522 . . . . 25.0 115.109 -174.415 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -85.44 96.67 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.637 . . . . 25.0 110.417 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -68.12 -21.31 64.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -174.235 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -75.81 -16.66 60.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -174.129 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -77.96 148.68 34.36 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.038 0.447 . . . . 25.0 111.818 -176.709 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.7 m -70.67 157.17 38.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.934 174.015 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 66.1 mt -65.28 -35.3 80.6 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.075 0.464 . . . . 25.0 111.085 179.016 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.06 69.89 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.1 -0.375 . . . . 25.0 111.262 175.793 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.9 m -69.81 -16.5 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 179.356 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -99.4 -5.98 28.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.997 -0.372 . . . . 25.0 109.997 174.552 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.51 21.48 62.03 Favored Glycine 0 N--CA 1.454 -0.148 0 N-CA-C 111.69 -0.564 . . . . 25.0 111.69 -176.569 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.27 81.48 3.05 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 122.115 0.959 . . . . 25.0 110.632 -178.822 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -74.6 171.64 13.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 113.511 -1.677 . . . . 25.0 114.194 -177.935 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.76 128.89 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.761 172.53 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 87.74 -2.52 85.99 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 25.0 113.341 175.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -77.42 158.73 29.89 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.143 0.972 . . . . 25.0 110.664 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 16.7 t -123.2 135.3 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.973 -171.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.91 158.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 172.819 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 66.6 mt -125.22 115.22 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -178.834 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -96.51 131.72 42.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.981 -1.488 . . . . 25.0 106.981 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -124.68 120.11 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.686 0.279 . . . . 25.0 111.705 -177.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 125.289 2.471 . . . . 25.0 110.544 174.086 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 124.754 2.216 . . . . 25.0 112.473 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.07 45.32 3.3 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-N 112.946 -1.934 . . . . 25.0 112.902 -178.82 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -64.26 -15.11 59.46 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.758 1.021 . . . . 25.0 113.758 -175.346 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -125.43 22.23 7.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.078 0.466 . . . . 25.0 110.38 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -79.94 133.78 36.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 179.779 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -125.92 154.69 42.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.904 -1.517 . . . . 25.0 106.904 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -156.02 172.69 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -175.614 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 67.19 176.15 0.25 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.449 1.1 . . . . 25.0 112.589 178.672 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -135.59 167.16 21.62 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -177.904 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -111.31 68.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.48 0.657 . . . . 25.0 110.609 -177.772 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -81.47 134.79 35.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.155 -178.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -139.46 157.54 45.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.284 -1.747 . . . . 25.0 106.284 177.887 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.7 t -154.07 159.77 41.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 179.801 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.7 p -152.52 147.53 26.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.635 -1.617 . . . . 25.0 106.635 177.581 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.89 167.7 43.52 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 109.036 -1.626 . . . . 25.0 109.036 -175.077 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -154.96 -164.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.818 0.809 . . . . 25.0 110.34 -178.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.8 mt -76.66 110.1 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 106.019 -1.845 . . . . 25.0 106.019 174.146 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -151.65 171.78 17.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 -176.46 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.35 -169.91 46.12 Favored Glycine 0 C--O 1.239 0.46 0 N-CA-C 111.014 -0.835 . . . . 25.0 111.014 -175.821 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -150.13 86.22 1.42 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 117.66 0.73 . . . . 25.0 110.7 179.622 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -115.73 163.94 15.08 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 -173.589 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -145.83 161.61 39.57 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.0 tp -107.68 135.09 49.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 25.0 110.787 -177.382 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.6 mt -124.94 146.04 49.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 177.321 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -102.49 136.99 41.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 177.294 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.06 130.24 74.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -119.49 108.04 14.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.8 m -97.86 121.28 39.59 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 122.363 0.265 . . . . 25.0 110.291 -176.631 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.6 t -109.87 132.29 58.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 122.703 0.401 . . . . 25.0 111.933 -175.503 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -113.59 151.21 31.98 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 172.565 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -62.65 -32.1 73.08 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.873 0.368 . . . . 25.0 111.163 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.54 31.31 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.134 0.79 . . . . 25.0 113.134 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt 52.93 39.78 29.82 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 122.431 1.11 . . . . 25.0 112.384 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.98 25.19 11.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.364 -1.289 . . . . 25.0 112.252 -177.211 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -72.37 152.42 42.06 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.073 0.94 . . . . 25.0 113.256 -170.569 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.8 p -145.49 152.52 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.274 -1.75 . . . . 25.0 106.274 -176.826 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -139.92 148.94 42.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.632 -1.248 . . . . 25.0 107.632 176.879 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -157.31 174.1 15.95 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 -176.394 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 56.1 m -126.51 146.77 49.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 178.322 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.76 147.66 50.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 -178.33 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -108.28 128.32 54.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.545 -1.28 . . . . 25.0 107.545 177.767 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.83 160.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -177.893 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.22 160.74 30.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.22 0.533 . . . . 25.0 110.026 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.45 81.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.221 0.534 . . . . 25.0 109.982 175.855 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -98.64 16.12 23.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.858 -0.61 . . . . 25.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.2 143.2 57.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.04 139.81 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 25.0 111.329 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.63 -33.26 72.52 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 175.017 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -54.23 -48.25 71.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.525 -0.307 . . . . 25.0 111.641 175.311 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -77.82 -29.41 50.65 Favored 'General case' 0 C--O 1.211 -0.924 0 C-N-CA 120.959 -0.297 . . . . 25.0 111.195 -176.084 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.4 -38.71 90.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.963 0.411 . . . . 25.0 111.295 176.399 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -60.98 -49.54 77.04 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 175.932 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.13 83.67 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.036 -0.984 . . . . 25.0 111.521 -179.019 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.8 mp -64.91 -47.63 77.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.134 -0.354 . . . . 25.0 111.187 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 17.6 p -72.1 -25.42 61.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.022 -0.671 . . . . 25.0 111.179 -178.488 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.39 -46.74 72.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.45 -43.61 85.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.522 -179.241 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -65.46 -35.34 80.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.255 0.55 . . . . 25.0 110.789 -178.755 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.5 m -81.69 -26.24 34.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.748 178.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.39 33.02 49.72 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.048 -0.596 . . . . 25.0 112.165 179.504 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.5 pt -120.17 154.44 55.98 Favored Pre-proline 0 C--O 1.217 -0.658 0 O-C-N 122.671 -0.311 . . . . 25.0 111.486 -173.759 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -73.88 138.7 26.38 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 115.904 -2.264 . . . . 25.0 111.941 174.736 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.35 -32.53 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.885 -0.509 . . . . 25.0 111.561 175.228 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.04 -24.57 67.15 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.6 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -104.16 15.62 28.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.316 0.246 . . . . 25.0 111.142 -177.678 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.8 p -127.97 154.49 45.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.152 1.167 . . . . 25.0 114.152 -176.133 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -138.99 136.39 35.31 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 173.314 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -114.81 133.67 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.239 0.543 . . . . 25.0 109.88 -173.593 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.87 136.42 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.625 0.77 . . . . 25.0 110.85 -171.83 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -132.62 135.52 45.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 176.214 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.46 47.39 22.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 123.272 0.358 . . . . 25.0 110.913 -179.126 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 62.88 2.99 1.08 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.726 1.75 . . . . 25.0 115.726 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -117.2 138.01 24.49 Favored Pre-proline 0 N--CA 1.468 0.435 0 O-C-N 121.763 -0.586 . . . . 25.0 109.69 -178.445 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.13 146.86 47.24 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 115.794 -2.338 . . . . 25.0 113.457 -176.115 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.44 58.56 2.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 176.707 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -37.45 71.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.322 -0.854 . . . . 25.0 111.144 -177.21 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -75.02 129.84 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 178.226 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.76 4.24 47.68 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.853 174.919 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.3 1.68 24.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 118.808 2.892 . . . . 25.0 118.808 -165.325 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.417 ' HB2' ' CE2' ' A' ' 164' ' ' TYR . 99.8 mtt180 -137.38 166.1 24.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.563 0.62 . . . . 25.0 110.284 -178.276 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 162.49 27.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.098 -0.501 . . . . 25.0 111.142 175.902 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.84 -45.74 91.48 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -177.786 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.12 70.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.891 0.377 . . . . 25.0 110.724 178.728 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.1 t -72.77 -16.53 61.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.381 0.512 . . . . 25.0 112.381 178.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 159' ' ' ARG . 57.5 m-85 -95.22 -2.05 50.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.828 -0.804 . . . . 25.0 108.828 173.592 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.39 20.58 60.09 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.233 -0.439 . . . . 25.0 112.606 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.15 80.46 4.57 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 -177.827 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.17 160.9 31.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.005 -0.998 . . . . 25.0 113.189 -177.581 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.32 128.43 35.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.225 171.592 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.44 -2.09 77.25 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.486 -0.779 . . . . 25.0 114.059 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.72 164.72 23.49 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.572 1.186 . . . . 25.0 112.19 178.852 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.7 130.74 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 25.0 111.446 -175.106 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.66 136.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.806 -1.553 . . . . 25.0 106.806 178.178 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.2 mt -111.18 128.92 67.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 -178.271 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.8 tt -115.51 143.67 44.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.474 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -118.68 133.12 56.08 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 123.466 1.603 . . . . 25.0 110.941 -179.164 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 122.864 1.316 . . . . 25.0 113.509 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.88 -6.97 79.4 Favored Glycine 0 C--N 1.341 0.826 0 O-C-N 121.245 -0.909 . . . . 25.0 113.144 179.265 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -81.87 67.14 7.74 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 175.998 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -120.33 159.8 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -173.873 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.81 157.12 16.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.691 -1.596 . . . . 25.0 106.691 174.271 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -121.04 133.14 55.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.743 0.306 . . . . 25.0 110.178 -176.141 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -148.08 117.38 6.91 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -157.45 133.81 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 178.175 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -138.97 157.43 46.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 177.164 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -96.02 134.69 38.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -179.442 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -138.1 163.3 31.97 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 177.218 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -67.65 151.25 47.59 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.07 -0.344 . . . . 25.0 110.07 179.491 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.5 t -148.57 176.45 10.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 178.885 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.2 m 53.34 -136.09 1.41 Allowed 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.639 0.587 . . . . 25.0 110.552 -177.762 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 85.39 -2.65 87.99 Favored Glycine 0 N--CA 1.461 0.367 0 CA-C-O 122.001 0.778 . . . . 25.0 111.22 -176.848 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -80.07 161.93 25.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.704 -1.591 . . . . 25.0 106.704 176.365 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.8 pt -64.75 154.4 7.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 108.369 -0.975 . . . . 25.0 108.369 174.447 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.73 157.34 37.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.842 -0.617 . . . . 25.0 112.383 -174.062 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.42 22.54 37.03 Favored Glycine 0 C--N 1.33 0.215 0 N-CA-C 111.422 -0.671 . . . . 25.0 111.422 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -80.5 116.08 20.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.339 -0.507 . . . . 25.0 110.276 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -99.74 161.56 13.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 104.129 -2.545 . . . . 25.0 104.129 174.388 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -151.18 172.16 16.25 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -119.75 132.25 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 -179.495 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.7 mt -121.69 153.85 37.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.75 -1.204 . . . . 25.0 107.75 176.256 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -107.27 137.49 45.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 178.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.02 128.57 73.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -108.83 122.0 46.26 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.821 -1.177 . . . . 25.0 107.821 175.536 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 96.6 m -113.47 117.97 33.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.026 0.917 . . . . 25.0 111.731 -177.003 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.1 t -91.7 113.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -91.76 145.45 24.57 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 174.285 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -58.64 -34.2 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.336 0.589 . . . . 25.0 111.365 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.63 19.08 3.02 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -173.154 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.6 mt 58.95 26.04 14.5 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 122.569 1.175 . . . . 25.0 111.057 -177.351 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.1 m -87.08 25.83 1.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 125.572 1.549 . . . . 25.0 110.27 177.516 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.94 149.3 45.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.328 -0.851 . . . . 25.0 110.194 -163.169 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.88 156.46 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.688 -1.142 . . . . 25.0 110.082 -166.976 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -128.14 145.93 50.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 174.562 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -154.52 173.95 15.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.352 -1.721 . . . . 25.0 106.352 178.172 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -127.6 146.9 50.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 179.543 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -119.67 144.77 47.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.474 -178.296 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -100.56 124.25 45.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.761 -1.941 . . . . 25.0 105.761 175.85 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.1 m -140.7 165.34 20.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -174.271 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -87.34 164.47 16.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.314 -0.995 . . . . 25.0 108.314 174.876 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.06 99.17 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -94.36 17.85 12.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.842 0.829 . . . . 25.0 112.299 -175.863 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.06 133.53 55.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 179.132 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HB2' ' H ' ' A' ' 129' ' ' ASN . 79.0 mt-10 -63.97 149.09 48.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.455 -0.202 . . . . 25.0 110.455 179.443 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -64.24 -36.77 85.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 168.52 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -58.36 -39.85 80.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.894 177.621 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.436 ' H ' ' HB2' ' A' ' 126' ' ' GLU . 23.3 t-20 -77.99 -36.44 48.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.698 0.761 . . . . 25.0 110.084 177.584 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.27 -45.58 92.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.696 -0.627 . . . . 25.0 112.186 179.242 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.98 69.25 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.11 178.826 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.62 71.25 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.076 0.398 . . . . 25.0 110.044 177.454 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.45 -40.65 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 25.0 109.6 177.474 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.9 t -62.94 -43.5 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.177 -0.465 . . . . 25.0 110.614 177.764 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.09 -42.63 90.95 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.273 0.629 . . . . 25.0 110.8 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.89 -50.43 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.23 -0.441 . . . . 25.0 112.021 179.479 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -70.36 -33.32 71.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.069 0.461 . . . . 25.0 111.774 -177.705 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.1 m -77.56 -28.93 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 -177.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.57 11.4 85.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.864 -0.684 . . . . 25.0 112.583 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.8 pt -131.46 141.61 42.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 179.081 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -64.09 135.69 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 116.19 -2.073 . . . . 25.0 113.013 -178.638 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.29 69.53 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.192 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.76 -25.04 64.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.863 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.11 19.15 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 m -140.58 179.21 6.81 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -176.869 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -128.26 150.82 49.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 172.999 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.14 133.85 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.415 0.626 . . . . 25.0 111.242 -176.008 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 144.62 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.196 0.522 . . . . 25.0 110.917 -173.454 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -145.81 135.69 23.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 177.933 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.18 43.01 29.39 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 122.757 0.423 . . . . 25.0 111.112 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 59.79 7.19 1.03 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.623 1.712 . . . . 25.0 115.623 -178.33 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -113.41 137.35 22.06 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.063 -0.718 . . . . 25.0 109.063 178.787 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.8 148.18 64.24 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 115.476 -2.549 . . . . 25.0 111.436 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.46 ' HB3' HD11 ' A' ' 127' ' ' LEU . 28.5 mt -89.2 75.25 7.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 -178.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 38.2 p -90.51 -30.52 17.23 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.805 2.15 . . . . 25.0 116.805 -172.4 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -83.13 86.09 7.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 -172.31 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -61.23 -21.4 63.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.81 -2.7 55.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -179.471 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -87.14 152.87 21.96 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 176.812 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 11.0 m -86.24 166.31 15.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 171.047 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.39 -35.98 81.7 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.785 -0.572 . . . . 25.0 110.637 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.14 69.31 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.197 -0.315 . . . . 25.0 111.117 174.419 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.4 m -70.47 -16.57 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -97.68 -6.04 33.95 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 174.575 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.61 71.83 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.712 -0.955 . . . . 25.0 110.712 -175.117 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.17 81.68 1.8 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 121.449 0.642 . . . . 25.0 109.639 -178.565 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 164.06 20.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.682 -178.589 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.48 119.3 3.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.512 0.93 . . . . 25.0 113.512 -177.025 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.83 -9.41 51.58 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.404 -0.816 . . . . 25.0 113.991 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -66.99 153.77 42.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 118.105 0.953 . . . . 25.0 110.591 178.581 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.94 127.87 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.494 -0.775 . . . . 25.0 110.856 -176.8 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.9 142.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 176.715 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 90.6 mt -118.8 126.31 75.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 -178.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.72 133.54 53.02 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.242 -1.762 . . . . 25.0 106.242 175.257 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -124.32 120.38 31.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.53 0.681 . . . . 25.0 112.416 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 . . . . . 0 C--O 1.21 -1.02 0 CA-C-O 124.094 1.902 . . . . 25.0 110.278 171.287 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 124.829 2.252 . . . . 25.0 112.46 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.13 169.99 43.13 Favored Glycine 0 C--O 1.225 -0.416 0 CA-C-N 113.331 -1.759 . . . . 25.0 109.156 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.87 -48.77 2.74 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 117.367 0.584 . . . . 25.0 111.845 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.3 t60 51.55 37.97 21.05 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 179.489 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -71.6 132.07 44.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 178.313 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -151.21 116.28 5.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.892 0.33 . . . . 25.0 111.892 -176.442 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -146.69 155.92 42.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.466 -1.309 . . . . 25.0 107.466 176.841 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -151.51 140.98 21.57 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.334 -1.358 . . . . 25.0 107.334 178.592 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -137.17 145.4 43.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 -177.511 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.55 116.22 4.46 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 -179.626 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -140.6 167.55 21.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.326 -0.62 . . . . 25.0 109.326 -176.961 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 53.18 36.72 23.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.266 1.21 . . . . 25.0 114.266 175.219 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 m -88.66 -3.18 58.84 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.242 1.201 . . . . 25.0 114.242 -176.838 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.1 m -118.67 143.34 46.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -175.67 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.12 167.53 38.29 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 108.835 -1.706 . . . . 25.0 108.835 177.298 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -160.57 171.74 18.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.35 -2.093 . . . . 25.0 105.35 178.002 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.7 pt -133.97 165.05 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 176.104 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -134.3 162.06 33.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.192 -1.41 . . . . 25.0 107.192 177.058 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.82 134.03 3.85 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 108.827 -1.709 . . . . 25.0 108.827 176.468 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -77.91 126.5 30.93 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 -178.522 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -163.64 -179.48 6.44 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 101.592 -3.484 . . . . 25.0 101.592 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -137.03 152.18 49.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 172.638 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.4 tp -102.08 131.96 48.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 -178.532 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.83 151.74 44.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 176.205 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 138.72 43.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.15 123.3 65.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 178.37 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -103.73 120.33 40.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.767 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -97.49 123.26 41.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 179.306 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.62 124.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.822 -0.626 . . . . 25.0 110.206 -179.588 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.407 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 69.1 mtp180 -123.06 143.89 49.66 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 107.856 -1.165 . . . . 25.0 107.856 174.074 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.81 -25.03 64.63 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -175.765 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.47 28.63 1.92 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.887 0.375 . . . . 25.0 111.96 -176.02 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt 54.58 32.73 17.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 122.235 1.017 . . . . 25.0 112.286 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.407 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 0.8 OUTLIER -91.15 25.63 2.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.713 -1.131 . . . . 25.0 109.553 179.364 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -72.33 148.02 45.76 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.575 -1.193 . . . . 25.0 111.37 -168.636 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -155.16 148.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 107.888 -1.152 . . . . 25.0 107.888 -178.187 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 t -124.9 144.78 50.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.618 -1.623 . . . . 25.0 106.618 175.709 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -150.8 170.78 18.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.147 -1.797 . . . . 25.0 106.147 -178.461 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.5 p -128.46 152.84 47.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 -179.708 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.65 148.93 52.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 -175.987 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -103.35 125.42 49.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 177.761 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.42 163.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 -177.244 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.3 -1.371 . . . . 25.0 107.3 173.649 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.37 90.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 175.458 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -95.46 19.25 11.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 25.0 112.539 -177.473 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.8 134.03 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 178.108 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.62 145.85 50.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -177.376 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -64.02 -26.67 68.67 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.422 0.63 . . . . 25.0 109.446 169.861 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -63.57 -44.68 93.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.694 -0.685 . . . . 25.0 110.614 179.541 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -77.33 -33.36 55.52 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.865 0.364 . . . . 25.0 110.285 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -61.9 -41.95 98.49 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 25.0 113.45 -178.35 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -65.72 -30.98 71.73 Favored 'General case' 0 C--O 1.216 -0.696 0 C-N-CA 119.995 -0.682 . . . . 25.0 110.441 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.71 64.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.085 0.469 . . . . 25.0 109.975 175.285 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -64.73 -45.03 88.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 25.0 110.836 -178.564 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.8 p -75.55 -25.52 57.21 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.563 -0.455 . . . . 25.0 111.241 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -65.77 -45.33 82.92 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 176.346 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.71 -45.35 93.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.159 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.82 -35.93 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -177.012 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.6 p -84.06 -21.29 31.59 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.79 -0.569 . . . . 25.0 112.135 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.09 9.65 86.4 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 121.158 -0.544 . . . . 25.0 113.829 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.46 144.14 52.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 117.336 0.568 . . . . 25.0 110.062 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -63.93 138.56 63.46 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 117.303 -1.331 . . . . 25.0 115.384 -175.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.5 -29.4 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.389 -0.967 . . . . 25.0 108.389 172.889 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.648 -0.706 . . . . 25.0 112.761 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -99.93 8.23 44.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.506 . . . . 25.0 111.172 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 71.7 p -134.45 177.26 7.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 -176.407 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -127.41 116.09 19.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.327 0.584 . . . . 25.0 109.731 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -88.75 131.19 36.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 179.4 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.7 p -140.56 141.05 33.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.514 0.673 . . . . 25.0 109.875 -174.361 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -142.39 134.03 26.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 179.35 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 43.53 25.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.015 0.436 . . . . 25.0 110.686 -177.171 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 60.61 8.52 1.75 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.305 1.594 . . . . 25.0 115.305 -178.34 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -112.27 135.46 21.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 121.818 -0.551 . . . . 25.0 110.055 178.9 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -70.95 149.97 60.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 115.985 -2.21 . . . . 25.0 112.13 179.237 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 127' ' ' LEU . 61.7 mt -102.71 77.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.319 0.581 . . . . 25.0 111.058 -178.693 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 34.3 p -92.04 -43.64 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -176.032 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.54 117.92 17.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.161 0.801 . . . . 25.0 113.161 -172.491 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -78.51 1.86 21.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.664 177.015 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -72.07 3.59 4.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.087 1.143 . . . . 25.0 114.087 -176.089 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -144.51 150.97 38.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.815 -0.553 . . . . 25.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 23.2 p -83.05 167.83 17.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.289 -0.869 . . . . 25.0 109.012 174.149 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -42.19 98.08 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.09 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.871 -0.518 . . . . 25.0 110.851 178.398 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.1 -16.58 63.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 178.084 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.404 ' CE2' HD12 ' A' ' 127' ' ' LEU . 45.1 m-85 -97.13 -3.58 40.84 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 174.319 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 94.01 9.46 59.53 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-O 119.527 -0.596 . . . . 25.0 114.104 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.47 85.29 1.52 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.105 0.952 . . . . 25.0 109.809 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -76.6 166.25 23.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.476 -0.783 . . . . 25.0 110.017 175.457 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.27 129.02 33.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 25.0 109.574 174.577 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.59 -8.25 68.66 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.7 -0.682 . . . . 25.0 114.357 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.4 160.13 29.84 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 117.952 0.876 . . . . 25.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.1 131.53 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 113.117 0.784 . . . . 25.0 113.117 -172.146 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 51.6 t -109.73 146.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.782 -1.562 . . . . 25.0 106.782 176.603 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 89.1 mt -118.81 134.0 63.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 178.805 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.8 126.01 50.89 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 177.253 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -119.96 119.49 33.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.965 0.728 . . . . 25.0 112.965 -172.474 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 125.15 2.405 . . . . 25.0 111.168 175.306 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 . . . . . 0 CA--C 1.518 -0.269 0 N-CA-C 104.689 -2.337 . . . . 25.0 104.689 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -152.37 154.65 36.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.8 tp -104.88 130.03 53.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.157 -0.474 . . . . 25.0 110.843 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.99 145.34 45.9 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 m -99.52 139.44 35.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.427 -0.583 . . . . 25.0 109.427 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.13 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.969 -1.123 . . . . 25.0 107.969 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -120.24 110.55 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 75.3 m -99.22 126.43 45.01 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.7 t -114.62 128.64 71.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.409 0.623 . . . . 25.0 111.69 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.449 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 40.5 mtp180 -117.79 141.95 47.83 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 104.686 -2.339 . . . . 25.0 104.686 169.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -67.66 -9.08 40.14 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.54 0.686 . . . . 25.0 111.357 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.55 12.4 10.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.718 1.207 . . . . 25.0 111.71 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.3 mt 58.05 25.31 12.17 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.459 1.103 . . . . 25.0 112.992 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.449 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 1.0 OUTLIER -97.14 25.37 5.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.321 176.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -72.33 148.8 44.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.285 -0.871 . . . . 25.0 109.914 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.9 p -149.69 153.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 107.851 -1.166 . . . . 25.0 107.851 -171.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -135.76 146.96 48.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -156.67 177.5 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.094 -1.817 . . . . 25.0 106.094 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.5 p -131.98 155.01 48.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.789 -0.819 . . . . 25.0 108.789 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.0 mt -132.75 144.67 50.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.835 0.454 . . . . 25.0 111.339 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -93.44 126.36 38.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.9 m -140.74 165.78 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.985 0.421 . . . . 25.0 110.136 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -83.84 160.58 21.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.93 92.92 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.798 -0.564 . . . . 25.0 109.831 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.55 17.5 16.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.622 0.725 . . . . 25.0 112.222 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.64 137.46 58.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.83 146.95 53.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.155 -0.341 . . . . 25.0 110.189 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.84 -33.06 74.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.624 -1.25 . . . . 25.0 107.624 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.2 -41.0 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.667 -0.697 . . . . 25.0 112.785 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -80.52 -37.87 30.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.704 0.764 . . . . 25.0 109.796 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.77 -44.36 96.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.707 -0.621 . . . . 25.0 112.05 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -27.93 68.88 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.835 -0.54 . . . . 25.0 110.707 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.29 -38.58 71.77 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.08 -37.3 85.44 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.175 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.33 -41.26 98.88 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 120.823 0.344 . . . . 25.0 110.085 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.6 -44.23 97.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.999 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.92 -51.5 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.84 -35.18 69.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.969 0.414 . . . . 25.0 112.051 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.0 t -82.97 -22.97 33.57 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -176.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.44 16.61 80.59 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.292 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.7 pt -131.38 138.69 33.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -63.91 140.02 70.95 Favored 'Trans proline' 0 C--N 1.349 0.571 0 N-CA-C 116.058 1.522 . . . . 25.0 116.058 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.69 68.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.188 -0.915 . . . . 25.0 108.642 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.88 65.81 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.375 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -103.37 11.62 36.38 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.456 0.646 . . . . 25.0 110.683 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -143.25 171.25 14.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.64 0.733 . . . . 25.0 112.377 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -131.59 153.35 49.99 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.7 133.46 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.088 -1.079 . . . . 25.0 108.088 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.77 138.65 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.407 -0.815 . . . . 25.0 110.104 -170.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -141.52 140.53 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 44.71 26.27 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.063 0.458 . . . . 25.0 110.857 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.688 1.736 . . . . 25.0 115.688 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -126.45 141.1 39.04 Favored Pre-proline 0 N--CA 1.47 0.561 0 O-C-N 121.415 -0.803 . . . . 25.0 112.242 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -64.89 146.07 87.16 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 116.259 -2.027 . . . . 25.0 112.644 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.17 92.26 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.299 -1.371 . . . . 25.0 107.299 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -85.4 -25.79 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.815 1.043 . . . . 25.0 113.815 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.41 103.74 15.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.769 0.795 . . . . 25.0 111.463 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -63.59 -27.7 69.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.205 -0.907 . . . . 25.0 111.038 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -90.75 23.2 3.19 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 143.87 33.81 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 105.073 -2.195 . . . . 25.0 105.073 170.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.4 p -86.34 160.97 18.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.39 -42.25 98.41 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.874 0.369 . . . . 25.0 111.581 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.99 -30.16 68.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 59.8 p -75.74 -17.25 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.708 -0.397 . . . . 25.0 111.926 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -88.9 -13.89 38.05 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 87.91 12.38 66.27 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 110.663 -0.975 . . . . 25.0 110.663 -174.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.85 82.92 2.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.433 -0.581 . . . . 25.0 109.433 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.86 176.09 5.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 25.0 112.259 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.99 127.09 17.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.782 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.36 -10.73 69.29 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.172 -0.922 . . . . 25.0 114.033 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.11 160.75 30.09 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 117.908 0.854 . . . . 25.0 111.43 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 14.5 t -125.13 137.14 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.3 m -118.75 155.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.46 121.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.2 tt -102.26 134.5 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -123.99 109.29 13.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.872 0.469 . . . . 25.0 110.939 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 123.86 1.79 . . . . 25.0 111.804 179.388 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -135.14 161.05 36.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 123.736 0.647 . . . . 25.0 110.405 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.23 134.66 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.03 0.532 . . . . 25.0 110.06 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.52 150.88 47.03 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.6 m -103.98 136.44 43.62 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.4 t -125.08 126.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -112.67 109.84 19.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 35.0 t -97.5 129.84 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.49 131.8 72.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 120.959 0.409 . . . . 25.0 111.7 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -126.97 147.16 50.12 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -28.77 63.74 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.041 0.448 . . . . 25.0 111.29 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -74.72 9.2 1.93 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 114.423 1.268 . . . . 25.0 114.423 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.5 mt 59.21 26.84 15.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 122.417 1.104 . . . . 25.0 110.277 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t -90.99 21.44 4.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.888 -1.506 . . . . 25.0 107.628 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.54 151.57 42.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.01 -0.995 . . . . 25.0 111.311 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -153.41 148.8 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 t -127.56 137.94 52.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.82 175.36 12.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.846 -1.538 . . . . 25.0 106.846 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -129.25 147.89 51.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -131.87 150.52 52.13 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 135.91 44.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.1 m -140.31 158.98 25.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -83.79 166.02 18.34 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.05 88.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.57 0.7 . . . . 25.0 110.653 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.3 2.89 51.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.394 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.7 126.58 28.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.387 -0.597 . . . . 25.0 109.387 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 160' ' ' SER . 47.0 mt-10 -78.48 153.56 31.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 25.0 111.687 -175.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -36.04 79.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.14 177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -57.77 -45.99 85.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.124 0.488 . . . . 25.0 109.697 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.5 -35.58 77.7 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.263 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -63.86 -36.39 83.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.704 -0.622 . . . . 25.0 112.521 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -66.03 -43.11 88.55 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.56 95.83 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.558 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.96 -42.42 89.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -73.36 -25.41 60.58 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.237 -0.585 . . . . 25.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -67.82 -42.71 81.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.14 -46.49 86.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.517 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -68.54 -42.9 77.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.216 0.532 . . . . 25.0 111.979 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.2 t -75.73 -26.94 57.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.22 14.64 81.71 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.785 -0.526 . . . . 25.0 111.785 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.61 130.01 22.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.26 131.93 49.2 Favored 'Trans proline' 0 C--N 1.352 0.761 0 N-CA-C 115.684 1.378 . . . . 25.0 115.684 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.2 -23.58 63.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.45 69.25 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.845 0.355 . . . . 25.0 110.9 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -84.48 15.01 3.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.86 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.8 p -139.03 169.36 17.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 116.675 2.102 . . . . 25.0 116.675 -172.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -117.5 149.36 40.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.996 -1.853 . . . . 25.0 105.996 168.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -116.6 131.37 69.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.213 -1.403 . . . . 25.0 107.213 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 123.729 0.811 . . . . 25.0 110.442 -169.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -140.87 142.06 34.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.59 -1.634 . . . . 25.0 106.59 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.89 44.78 28.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.188 0.518 . . . . 25.0 110.141 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.18 10.04 1.54 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.999 1.852 . . . . 25.0 115.999 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -127.94 146.6 59.7 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 121.594 -0.691 . . . . 25.0 111.408 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.89 150.56 55.52 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 116.2 -2.067 . . . . 25.0 112.975 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 54.1 mt -90.28 140.79 29.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.9 p -126.46 -43.45 1.75 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.848 1.796 . . . . 25.0 115.848 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -80.54 98.28 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -76.47 -12.05 59.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.76 -17.99 32.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.327 0.584 . . . . 25.0 110.627 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -65.81 150.57 48.34 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 120.577 -0.449 . . . . 25.0 110.346 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 95.0 p -77.82 162.6 26.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 171.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.7 mt -67.18 -33.13 74.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.199 0.523 . . . . 25.0 110.006 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.2 70.06 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.358 -0.383 . . . . 25.0 111.228 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.2 m -69.85 -16.48 63.27 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.02 0.378 . . . . 25.0 112.02 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -99.12 -7.09 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.73 24.15 54.0 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.223 -0.751 . . . . 25.0 111.223 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.59 83.35 1.54 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.55 164.89 22.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.707 -0.679 . . . . 25.0 112.007 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -54.87 128.64 34.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.234 -0.893 . . . . 25.0 110.217 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.69 -11.83 64.59 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.795 -0.639 . . . . 25.0 114.519 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.75 150.57 48.31 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.314 1.057 . . . . 25.0 111.351 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.66 130.13 65.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.392 -0.822 . . . . 25.0 109.53 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.4 t -116.96 139.14 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.3 132.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 18.5 tp -116.86 127.86 54.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.311 -1.737 . . . . 25.0 106.311 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -122.94 107.83 12.28 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.792 -0.567 . . . . 25.0 111.162 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 123.693 1.711 . . . . 25.0 111.586 178.55 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 . . . . . 0 C--O 1.239 0.542 0 N-CA-C 102.237 -3.246 . . . . 25.0 102.237 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -143.01 161.35 38.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.428 0.558 . . . . 25.0 109.725 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.77 135.0 54.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -127.13 157.84 38.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 m -111.5 143.91 41.58 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.1 t -125.05 119.38 55.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -101.21 108.94 20.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -94.19 124.95 38.52 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.39 127.28 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.421 0.629 . . . . 25.0 110.846 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -110.41 142.97 41.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -70.05 -8.23 47.55 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 121.224 0.535 . . . . 25.0 110.857 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -99.2 15.97 24.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.079 -0.964 . . . . 25.0 109.641 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt 57.13 25.21 10.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.32 26.05 1.76 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.686 0.755 . . . . 25.0 110.31 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.35 150.58 43.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.86 -1.064 . . . . 25.0 113.208 -172.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -153.2 154.48 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -130.06 141.96 50.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -153.72 170.73 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -126.08 151.83 46.67 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.239 0.472 . . . . 25.0 110.711 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.01 148.5 48.43 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.15 139.84 37.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.503 -0.925 . . . . 25.0 108.503 176.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.31 167.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -83.58 162.5 20.81 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.85 97.67 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 122.122 -0.361 . . . . 25.0 111.326 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -96.44 18.14 14.62 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.602 0.715 . . . . 25.0 111.37 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.74 126.79 28.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.21 148.73 49.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.592 -0.277 . . . . 25.0 110.927 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.75 -29.83 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.192 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -59.35 -43.94 92.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.073 0.463 . . . . 25.0 110.355 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -77.86 -34.18 51.84 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.356 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -64.62 -41.95 95.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -27.33 66.31 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.691 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.44 64.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.94 -43.55 78.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.335 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.3 p -74.92 -25.36 58.85 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.134 -0.626 . . . . 25.0 111.241 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -65.49 -41.58 93.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.67 -48.11 78.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.583 -0.281 . . . . 25.0 111.575 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -68.31 -38.94 82.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.093 0.473 . . . . 25.0 112.014 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 t -82.1 -21.55 36.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.52 27.48 73.41 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.02 -0.61 . . . . 25.0 114.151 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 37.9 pt -126.4 146.8 57.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -64.98 132.88 33.65 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 115.915 -2.257 . . . . 25.0 112.788 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.38 -28.24 69.56 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.899 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.57 -25.38 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -97.16 11.62 35.66 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.264 0.554 . . . . 25.0 110.79 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.4 p -146.53 173.49 12.27 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 -174.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -138.62 144.91 39.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 25.0 110.736 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -100.08 133.18 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.841 0.829 . . . . 25.0 108.823 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.02 133.88 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.059 -0.973 . . . . 25.0 108.69 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -138.58 141.61 39.2 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.31 41.64 28.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.212 0.53 . . . . 25.0 109.93 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 59.63 11.34 2.34 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.484 1.661 . . . . 25.0 115.484 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -124.58 146.5 52.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 O-C-N 121.499 -0.75 . . . . 25.0 111.586 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.74 150.34 62.07 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 115.785 -2.343 . . . . 25.0 112.54 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.52 137.0 32.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 82.6 p -126.25 -6.54 6.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.701 2.111 . . . . 25.0 116.701 -170.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -122.19 99.73 6.58 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.821 0.819 . . . . 25.0 109.022 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -75.84 -11.97 60.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.96 -5.97 58.92 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.665 -0.647 . . . . 25.0 110.816 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -86.53 148.76 25.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 54.8 p -81.85 162.35 22.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.379 -0.828 . . . . 25.0 110.121 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.11 -34.64 78.5 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.07 0.462 . . . . 25.0 111.628 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.76 70.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.517 -0.311 . . . . 25.0 111.315 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -68.47 -18.25 64.37 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.256 -0.277 . . . . 25.0 111.577 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -102.15 -2.44 29.32 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.206 0.527 . . . . 25.0 110.618 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.52 60.37 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-O 119.161 -0.799 . . . . 25.0 113.732 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.46 86.0 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.145 0.972 . . . . 25.0 109.83 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -80.55 163.64 23.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.682 0.754 . . . . 25.0 110.801 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -56.11 122.14 11.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.661 0.744 . . . . 25.0 112.127 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.47 -7.6 56.21 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.514 -0.767 . . . . 25.0 113.454 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -69.51 158.26 35.56 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.165 0.983 . . . . 25.0 109.378 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.58 141.94 44.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.678 -0.692 . . . . 25.0 110.053 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.63 159.27 17.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.277 -1.379 . . . . 25.0 107.277 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.19 120.9 65.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -98.61 123.22 42.66 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.796 -2.298 . . . . 25.0 104.796 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.06 117.32 28.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.359 -0.838 . . . . 25.0 111.343 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 126.483 3.04 . . . . 25.0 111.296 176.767 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 CA--C 1.516 -0.339 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -110.59 162.47 14.69 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 134.64 53.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.12 152.47 41.07 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.1 m -102.65 140.13 37.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.777 -1.194 . . . . 25.0 107.777 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.07 130.37 73.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -116.22 112.45 21.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.1 t -97.58 122.07 40.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.42 126.6 70.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.329 0.585 . . . . 25.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.71 143.75 42.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 173.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.55 -27.42 68.61 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.298 0.57 . . . . 25.0 110.25 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.72 11.5 1.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.1 mt 58.59 23.1 10.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.335 1.054 . . . . 25.0 112.02 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.4 t -92.71 25.76 2.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.558 -1.201 . . . . 25.0 108.317 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.154 -0.93 . . . . 25.0 111.547 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.4 154.85 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 t -133.75 147.17 51.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 174.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -154.19 176.09 12.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 p -132.56 153.45 50.98 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.0 mt -129.84 147.2 51.58 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -103.99 126.51 51.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.075 -1.824 . . . . 25.0 106.075 172.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.4 m -136.73 161.95 35.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -84.56 165.34 18.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.57 86.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -91.3 17.12 8.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.35 128.15 35.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.512 -0.742 . . . . 25.0 110.64 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -69.08 151.97 45.77 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.754 0.311 . . . . 25.0 111.345 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -61.75 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.102 172.485 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -64.75 -36.79 85.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 25.0 111.09 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -77.87 -35.5 50.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.782 0.801 . . . . 25.0 109.473 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.0 -44.5 96.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 25.0 112.019 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -27.97 68.83 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 119.925 -0.71 . . . . 25.0 110.908 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.98 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.158 0.435 . . . . 25.0 109.885 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.99 -38.96 92.7 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.232 0.539 . . . . 25.0 110.366 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.3 t -63.86 -42.86 97.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.207 0.527 . . . . 25.0 110.489 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.92 -39.85 93.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.566 . . . . 25.0 110.695 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.56 -48.4 81.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -75.63 -34.74 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 84.2 p -77.74 -25.56 49.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.054 -0.404 . . . . 25.0 111.446 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.71 13.75 78.18 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 121.001 -0.618 . . . . 25.0 114.116 175.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.41 148.28 63.47 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -63.39 135.31 49.26 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 116.397 -1.935 . . . . 25.0 113.947 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.31 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.729 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.94 -21.67 66.44 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.163 -0.471 . . . . 25.0 112.258 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.86 9.92 40.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 25.0 109.786 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.7 m -134.43 155.32 50.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.857 1.428 . . . . 25.0 114.857 -171.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -113.26 143.27 44.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -123.84 132.81 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.97 152.98 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.538 0.685 . . . . 25.0 111.666 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -141.44 137.01 31.89 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.196 -2.15 . . . . 25.0 105.196 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.68 43.31 24.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.367 0.417 . . . . 25.0 111.406 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 57.63 23.87 9.85 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -132.39 148.18 68.66 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.06 153.33 52.06 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 116.493 -1.871 . . . . 25.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.413 ' HB3' HD11 ' A' ' 127' ' ' LEU . 43.6 mt -103.59 116.1 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 175.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.4 p -130.15 -37.65 1.45 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 117.089 2.255 . . . . 25.0 117.089 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -83.54 109.34 17.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 -168.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -68.61 -17.1 64.05 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.869 -0.519 . . . . 25.0 109.807 173.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -75.07 5.39 5.34 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.649 0.78 . . . . 25.0 111.307 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -126.69 140.27 52.52 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.175 0.512 . . . . 25.0 109.686 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -80.76 165.02 22.31 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.905 -1.517 . . . . 25.0 106.905 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.58 -33.07 75.06 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.819 -0.551 . . . . 25.0 111.28 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.14 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.948 -0.47 . . . . 25.0 110.35 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.6 m -70.98 -16.5 62.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.626 -0.261 . . . . 25.0 111.203 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -97.5 -4.05 38.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.841 -0.429 . . . . 25.0 109.841 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.99 16.86 60.38 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-O 119.632 -0.538 . . . . 25.0 114.205 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.1 86.57 0.75 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.029 0.915 . . . . 25.0 111.326 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 157.14 37.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.402 -0.817 . . . . 25.0 111.286 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -59.47 130.04 44.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.624 0.726 . . . . 25.0 109.386 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.69 -10.78 70.52 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.097 -0.956 . . . . 25.0 113.733 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.04 161.86 29.61 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 118.144 0.972 . . . . 25.0 111.358 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.03 129.46 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -171.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.17 141.72 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 92.1 mt -116.97 131.27 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.1 tt -123.78 140.71 52.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -132.88 124.33 27.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.666 0.269 . . . . 25.0 110.935 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 122.953 1.359 . . . . 25.0 110.19 175.405 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 . . . . . 0 C--O 1.234 0.246 0 N-CA-C 101.514 -3.514 . . . . 25.0 101.514 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -136.53 159.85 40.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.2 tp -116.86 131.09 57.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -121.77 157.84 30.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.7 m -109.26 138.61 45.35 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.04 125.93 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -111.57 124.53 52.48 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.089 -1.819 . . . . 25.0 106.089 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.5 m -111.35 116.58 31.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.45 129.86 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.226 -0.443 . . . . 25.0 110.471 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.405 ' HD2' ' HB2' ' A' ' 113' ' ' SER . 93.4 mtt180 -114.34 149.97 35.25 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -61.05 -28.02 68.76 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.89 20.31 4.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.983 -0.553 . . . . 25.0 112.018 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.91 23.01 7.72 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.405 ' HB2' ' HD2' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -83.89 26.1 0.75 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.487 1.115 . . . . 25.0 111.305 176.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -72.38 152.84 41.78 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.628 -1.169 . . . . 25.0 112.353 -168.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.2 160.48 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 -172.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -138.81 150.75 46.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -157.61 174.23 15.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -123.5 151.45 42.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -133.59 145.76 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 25.0 110.749 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -102.32 131.99 48.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 m -146.08 166.08 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.89 166.22 15.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.986 -1.487 . . . . 25.0 106.986 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.83 95.92 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.883 -0.511 . . . . 25.0 110.38 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -91.21 16.83 9.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.623 0.725 . . . . 25.0 112.427 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.19 131.7 46.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -66.72 150.88 48.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.69 0.281 . . . . 25.0 111.504 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -62.75 -37.35 86.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 172.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.43 -34.11 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.264 0.554 . . . . 25.0 110.933 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.34 -40.45 51.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.35 -43.71 98.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -27.87 68.0 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.813 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.88 -37.24 64.78 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.44 -45.62 90.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.365 . . . . 25.0 110.892 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.0 p -72.19 -25.39 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.597 -0.841 . . . . 25.0 111.198 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.43 -42.38 96.05 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -44.91 91.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 25.0 111.779 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -68.58 -35.27 77.14 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.0 p -92.52 -17.97 23.77 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.75 32.97 79.1 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.913 -0.66 . . . . 25.0 114.495 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.0 157.78 42.47 Favored Pre-proline 0 N--CA 1.469 0.487 0 CA-C-N 117.247 0.523 . . . . 25.0 110.661 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.97 113.99 3.84 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 114.508 -3.195 . . . . 25.0 108.954 165.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.37 -22.98 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.287 -0.883 . . . . 25.0 110.805 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.28 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.609 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -97.58 15.11 24.32 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.904 0.383 . . . . 25.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.6 p -135.43 166.89 22.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.545 0.688 . . . . 25.0 112.315 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -133.48 151.98 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 105.874 -1.899 . . . . 25.0 105.874 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.521 HG23 ' HB2' ' A' ' 154' ' ' LEU . 9.4 tt -124.1 133.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 -177.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.0 t -124.62 137.64 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.642 -0.708 . . . . 25.0 111.364 -168.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -137.94 140.36 40.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.5 43.16 27.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.123 0.487 . . . . 25.0 110.833 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 61.72 5.76 1.4 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.872 1.804 . . . . 25.0 115.872 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -117.98 144.37 34.54 Favored Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 121.694 -0.629 . . . . 25.0 110.826 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.67 146.5 49.01 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 116.071 -2.153 . . . . 25.0 112.58 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' A' ' 147' ' ' ILE . 14.0 mt -92.72 83.66 4.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.917 -1.038 . . . . 25.0 109.02 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.2 p -104.43 -18.31 14.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.55 80.66 7.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.376 -0.972 . . . . 25.0 108.376 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.71 -12.55 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 -170.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.578 0.704 . . . . 25.0 109.861 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -75.58 148.61 38.71 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.274 0.559 . . . . 25.0 111.896 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 64.6 p -81.53 163.06 22.94 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 171.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.59 -30.04 70.72 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 121.15 0.5 . . . . 25.0 111.508 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.06 -30.21 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.432 -0.349 . . . . 25.0 111.117 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.1 t -69.86 -16.56 63.27 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.118 -0.364 . . . . 25.0 111.587 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -101.47 -6.84 23.45 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.37 27.8 46.75 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 119.36 -0.689 . . . . 25.0 113.027 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.38 86.42 0.42 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.108 0.954 . . . . 25.0 110.267 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -71.95 158.61 35.7 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.22 -0.9 . . . . 25.0 109.0 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -59.53 132.41 53.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.8 -13.67 65.9 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.452 -0.794 . . . . 25.0 113.801 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -64.99 149.38 49.92 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 118.202 1.001 . . . . 25.0 109.637 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.5 136.28 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.787 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 29.0 m -113.6 149.97 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 61.6 mt -117.13 105.92 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 tt -86.28 136.2 33.25 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.869 -1.9 . . . . 25.0 105.869 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -127.82 117.67 22.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.206 -1.219 0 CA-C-O 124.775 2.226 . . . . 25.0 110.41 178.193 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.2 p80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 48.6 mtm -98.94 160.05 14.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.17 124.75 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.91 154.06 36.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.7 m -106.28 135.67 47.35 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.0 127.57 75.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.623 -1.251 . . . . 25.0 107.623 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.86 110.33 20.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.0 t -97.52 119.11 35.49 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.7 t -105.88 123.85 60.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 120.926 0.393 . . . . 25.0 111.214 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -107.32 144.03 34.75 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -63.74 -19.3 64.85 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -91.91 22.93 3.93 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 123.55 0.74 . . . . 25.0 111.441 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt 55.59 23.43 6.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.395 1.078 . . . . 25.0 113.484 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.53 25.65 2.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.932 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.25 149.46 44.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.8 -1.091 . . . . 25.0 111.013 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.16 156.9 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -133.3 148.58 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.77 168.36 25.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.2 m -115.33 146.2 41.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.97 142.66 50.58 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -101.67 127.36 48.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.102 -1.444 . . . . 25.0 107.102 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -140.67 160.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.01 166.26 22.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.81 99.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 25.0 110.553 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -98.7 19.52 14.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.633 0.73 . . . . 25.0 111.51 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -60.74 133.1 55.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.6 . . . . 25.0 110.795 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.81 145.89 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -61.79 -37.0 82.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 173.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -57.55 -47.98 80.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.528 . . . . 25.0 110.604 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.0 -29.78 64.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.09 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.723 -0.61 . . . . 25.0 111.328 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -64.87 -41.73 95.42 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.14 93.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.364 -0.834 . . . . 25.0 110.812 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.61 -45.82 88.57 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.085 -0.384 . . . . 25.0 111.36 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.4 p -70.99 -25.46 62.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.447 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.77 -46.68 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.49 -45.4 83.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 25.0 112.282 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.63 -32.29 72.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.187 0.518 . . . . 25.0 111.829 -176.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.4 t -88.37 -25.56 22.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.99 32.7 58.4 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.981 -0.628 . . . . 25.0 114.207 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.3 pt -128.6 151.78 77.48 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 122.489 -0.418 . . . . 25.0 109.901 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -68.15 133.69 29.43 Favored 'Trans proline' 0 C--O 1.24 0.6 0 C-N-CA 116.827 -1.648 . . . . 25.0 113.48 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.74 67.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.96 -0.462 . . . . 25.0 111.082 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.26 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.951 0.405 . . . . 25.0 111.824 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.12 9.87 41.55 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.068 0.461 . . . . 25.0 110.214 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.5 m -128.26 148.31 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -170.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -128.18 146.94 50.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.381 -1.34 . . . . 25.0 107.381 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -121.34 133.36 68.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.1 t -135.54 135.48 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 123.79 0.836 . . . . 25.0 110.701 -169.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -138.39 139.01 38.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.603 -1.629 . . . . 25.0 106.603 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 41.83 28.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.124 0.488 . . . . 25.0 110.537 -175.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.61 12.66 2.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.378 1.622 . . . . 25.0 115.378 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -122.08 141.4 34.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.576 -0.703 . . . . 25.0 110.785 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.9 147.25 92.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 116.561 -1.826 . . . . 25.0 113.504 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 127' ' ' LEU . 57.6 mt -92.95 118.48 31.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 176.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.9 p -127.74 -25.15 3.15 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 117.427 2.38 . . . . 25.0 117.427 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -86.43 97.39 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.781 0.719 . . . . 25.0 110.231 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -63.88 -21.87 66.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -82.96 -20.01 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.23 0.538 . . . . 25.0 111.945 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -76.07 145.11 40.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.734 -0.386 . . . . 25.0 110.009 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.4 p -81.99 163.14 22.35 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.295 -1.002 . . . . 25.0 108.295 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.916 0.389 . . . . 25.0 111.323 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.21 71.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.258 -0.276 . . . . 25.0 110.695 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.0 m -69.47 -16.52 63.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.87 0.322 . . . . 25.0 111.87 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -99.97 -8.08 24.36 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.022 0.439 . . . . 25.0 109.92 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.39 19.46 56.87 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-O 119.074 -0.848 . . . . 25.0 113.694 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.94 83.4 1.23 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.332 1.066 . . . . 25.0 109.72 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.57 162.01 27.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.365 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -57.25 130.25 45.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.88 60.93 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.49 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -72.78 161.76 30.33 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 118.593 1.197 . . . . 25.0 111.288 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 31.0 t -123.11 131.01 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.403 0.62 . . . . 25.0 111.703 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.61 137.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.74 127.21 60.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.3 tt -114.69 133.97 55.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 105.478 -2.045 . . . . 25.0 105.478 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -126.98 121.1 30.74 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.95 -0.469 . . . . 25.0 109.843 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 123.847 1.784 . . . . 25.0 110.802 179.652 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.0 p80 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -133.36 163.8 28.52 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -110.44 120.92 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 25.0 111.075 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.85 144.04 43.68 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.59 137.22 34.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.08 128.58 73.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -121.07 107.29 12.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.0 132.82 44.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.806 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 134.7 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.283 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -113.5 154.83 26.42 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 171.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -62.9 -32.17 73.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.92 0.391 . . . . 25.0 109.984 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.24 18.35 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.606 1.162 . . . . 25.0 113.942 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.0 mt 59.46 26.67 15.66 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.68 25.69 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.418 0.628 . . . . 25.0 110.645 175.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.34 152.35 42.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.039 -0.982 . . . . 25.0 113.492 -171.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 p -151.84 152.78 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.562 -1.273 . . . . 25.0 107.562 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -135.21 141.88 45.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -155.96 -177.82 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.9 m -134.23 151.77 51.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.275 -0.265 . . . . 25.0 110.524 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.69 146.86 50.43 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.117 0.567 . . . . 25.0 110.275 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -105.94 121.82 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.48 164.51 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 122.831 0.452 . . . . 25.0 110.24 -173.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.24 157.96 32.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.18 70.7 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.531 -0.731 . . . . 25.0 109.539 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.75 4.6 46.88 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.714 -0.676 . . . . 25.0 112.466 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.23 131.23 48.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.01 150.52 47.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.33 -29.28 70.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.841 -0.344 . . . . 25.0 110.523 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.21 -39.7 93.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.544 . . . . 25.0 110.536 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.63 -36.3 57.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.769 0.795 . . . . 25.0 109.171 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -61.34 -45.59 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.95 -0.469 . . . . 25.0 111.752 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -66.47 -27.93 68.18 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.338 -0.545 . . . . 25.0 110.81 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.34 74.55 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.39 -37.37 85.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.99 -0.444 . . . . 25.0 109.947 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 73.5 m -63.98 -40.67 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.262 -0.273 . . . . 25.0 110.262 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.63 -40.15 93.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.96 -0.385 . . . . 25.0 109.96 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.96 -45.98 91.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.71 -35.64 67.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.075 0.464 . . . . 25.0 112.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.0 m -88.59 -25.5 22.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.746 1.387 . . . . 25.0 114.746 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.73 32.77 85.31 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.011 -0.614 . . . . 25.0 113.311 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.83 146.29 34.78 Favored Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 122.288 -0.537 . . . . 25.0 111.869 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.42 122.36 9.13 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 116.862 -1.625 . . . . 25.0 112.152 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.18 72.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 25.0 111.392 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.51 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -103.8 15.98 27.45 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.078 0.466 . . . . 25.0 110.658 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.8 p -133.66 163.27 29.82 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.881 1.437 . . . . 25.0 114.881 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -132.79 153.68 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -124.14 132.21 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.7 t -134.14 136.52 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.805 0.842 . . . . 25.0 110.71 -168.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -140.79 143.63 34.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.04 40.05 27.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.416 0.627 . . . . 25.0 110.732 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 58.24 17.66 4.8 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.002 1.482 . . . . 25.0 115.002 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -128.47 143.82 49.72 Favored Pre-proline 0 N--CA 1.468 0.459 0 O-C-N 121.755 -0.59 . . . . 25.0 110.699 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -71.61 145.67 47.42 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 116.332 -1.979 . . . . 25.0 112.319 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.4 mt -88.42 78.78 7.85 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 53.7 p -76.3 -29.74 57.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -172.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -94.69 101.62 13.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -84.88 -9.6 57.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -79.84 -16.78 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.593 0.711 . . . . 25.0 110.295 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 23.0 mtt85 -74.1 148.43 41.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.743 -0.662 . . . . 25.0 109.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -79.97 164.74 23.25 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.78 -38.89 86.84 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 121.267 0.556 . . . . 25.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.16 -30.24 66.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.017 -0.538 . . . . 25.0 112.251 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.7 t -70.98 -17.99 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -101.05 -6.33 24.54 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.646 -0.501 . . . . 25.0 109.646 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.88 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.6 83.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -88.66 172.13 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.268 -0.878 . . . . 25.0 112.499 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 128.22 32.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.942 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.5 -15.81 58.38 Favored Glycine 0 CA--C 1.516 0.152 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.316 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.97 155.98 38.27 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 118.472 1.136 . . . . 25.0 111.076 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 43.1 t -118.09 127.66 75.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.374 -0.83 . . . . 25.0 109.541 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.2 t -108.76 133.03 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.86 125.86 64.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.3 tt -113.44 138.23 50.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.75 122.98 38.99 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 123.294 1.521 . . . . 25.0 110.653 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 105.514 -2.032 . . . . 25.0 105.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -126.32 172.88 9.75 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.1 tp -125.51 130.46 51.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.194 -0.669 . . . . 25.0 109.194 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -119.43 158.74 25.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -110.88 142.56 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.05 132.32 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -119.48 111.37 18.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.185 -1.042 . . . . 25.0 108.185 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.5 t -97.4 122.68 40.73 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.22 -1.03 . . . . 25.0 108.22 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.47 124.36 67.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-O 121.29 0.567 . . . . 25.0 111.62 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -105.42 147.1 28.62 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 105.915 -1.883 . . . . 25.0 105.915 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 -70.76 -19.55 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.774 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -92.22 27.46 2.19 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.152 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.3 mt 55.22 34.76 23.41 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 122.305 1.05 . . . . 25.0 112.967 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 25.76 10.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.504 -1.225 . . . . 25.0 111.429 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 -72.23 154.25 41.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.945 0.878 . . . . 25.0 112.608 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.26 152.44 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.478 -1.675 . . . . 25.0 106.478 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.0 t -136.65 146.63 46.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -156.43 173.66 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.0 m -121.13 150.96 40.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -129.1 142.21 50.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.269 -0.423 . . . . 25.0 109.872 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -100.65 127.04 47.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.19 161.11 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -77.37 161.31 28.13 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.53 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.475 0.655 . . . . 25.0 109.998 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.0 15.68 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.616 0.722 . . . . 25.0 111.631 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.88 132.03 46.08 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 147.13 53.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.695 0.283 . . . . 25.0 111.275 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 154' ' ' LEU . 1.4 mm? -63.46 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.649 0.261 . . . . 25.0 110.789 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.892 0.377 . . . . 25.0 110.67 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -77.9 -32.44 51.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.599 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.34 -47.93 83.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.808 -0.558 . . . . 25.0 110.941 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -65.72 -27.86 68.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.396 -0.522 . . . . 25.0 111.579 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.54 74.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.092 0.472 . . . . 25.0 109.977 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.12 -38.6 88.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.65 -37.96 89.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.396 -0.366 . . . . 25.0 111.075 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.4 -50.36 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.674 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.11 -33.74 70.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.1 t -89.17 -18.22 27.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.68 32.97 82.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 115.477 0.951 . . . . 25.0 115.477 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.6 pt -134.43 147.52 63.82 Favored Pre-proline 0 N--CA 1.469 0.504 0 CA-C-N 117.177 0.488 . . . . 25.0 110.769 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.61 119.53 6.65 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.217 -1.389 . . . . 25.0 112.524 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.47 -26.5 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.92 0.39 . . . . 25.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.37 67.86 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.055 -0.52 . . . . 25.0 112.246 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -98.13 14.83 26.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.91 0.386 . . . . 25.0 110.978 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.7 p -134.23 165.8 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -131.13 148.91 52.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 tt -121.69 136.49 58.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.571 0.701 . . . . 25.0 109.917 -176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.8 p -139.72 143.96 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -141.17 134.79 30.07 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 45.29 24.6 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 123.472 0.483 . . . . 25.0 110.093 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 60.21 6.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.747 1.758 . . . . 25.0 115.747 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -116.05 133.31 22.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.99 149.25 46.54 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.875 -1.617 . . . . 25.0 113.855 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 127' ' ' LEU . 75.8 mt -100.59 53.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -25.09 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.47 89.18 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.191 0.996 . . . . 25.0 108.432 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -70.9 -13.33 61.98 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -81.31 -14.71 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 25.0 111.415 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -76.89 152.92 35.19 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 120.834 0.349 . . . . 25.0 110.351 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 12.0 m -80.7 162.81 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.92 -38.3 87.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.45 0.643 . . . . 25.0 109.797 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.08 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.934 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m -69.37 -17.24 63.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -101.75 -3.97 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 25.0 110.061 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.35 21.58 72.58 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.516 -0.634 . . . . 25.0 111.516 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.59 82.57 2.02 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 121.419 0.628 . . . . 25.0 109.504 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.16 171.05 14.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.948 -1.024 . . . . 25.0 111.371 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.69 129.59 37.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.141 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.56 -12.23 66.34 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 114.816 -1.084 . . . . 25.0 113.756 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -68.96 151.15 46.9 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 118.399 1.1 . . . . 25.0 110.499 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.68 129.31 72.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.421 -0.809 . . . . 25.0 109.531 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.07 154.97 7.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.3 mt -122.32 127.41 75.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -117.0 136.12 53.18 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -120.71 120.36 35.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.196 -0.298 . . . . 25.0 110.196 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--O 1.208 -1.122 0 CA-C-O 124.419 2.057 . . . . 25.0 111.236 179.281 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 p80 . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -142.93 156.89 44.97 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -110.46 125.85 53.72 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.34 158.39 24.49 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 m -108.77 134.54 51.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.394 -0.821 . . . . 25.0 109.249 173.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.3 t -122.58 122.45 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.946 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.06 119.01 38.22 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.6 m -105.7 127.14 52.89 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 120.052 -1.655 . . . . 25.0 107.261 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.8 t -117.19 138.33 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.927 0.767 . . . . 25.0 112.028 -173.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -123.0 152.4 40.93 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.82 -31.21 71.43 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.29 25.94 1.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.622 . . . . 25.0 109.348 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 114' ' ' GLU . 50.9 mt 57.86 24.87 11.36 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.54 23.55 0.4 Allowed 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.052 0.941 . . . . 25.0 108.586 176.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 112' ' ' LEU . 10.8 pt-20 -71.56 155.12 40.91 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 126.132 1.773 . . . . 25.0 112.92 -171.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.91 140.73 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 106.061 -1.829 . . . . 25.0 106.061 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -124.28 147.77 47.87 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 175.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -155.26 175.19 14.17 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 m -120.99 147.55 45.34 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.3 mt -124.08 148.43 47.11 Favored 'General case' 0 CA--C 1.472 -2.024 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -98.48 130.88 45.08 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 106.256 -1.757 . . . . 25.0 106.256 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.98 161.52 35.65 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-O 121.742 0.782 . . . . 25.0 112.412 174.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -83.36 161.41 21.39 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.41 -32.79 74.56 Favored 'General case' 0 C--O 1.199 -1.56 0 O-C-N 121.543 -0.723 . . . . 25.0 111.243 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.36 17.82 10.7 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.645 0.778 . . . . 25.0 112.659 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -75.45 134.5 40.84 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 120.147 -0.621 . . . . 25.0 110.175 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -75.91 156.32 34.37 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.446 1.593 . . . . 25.0 111.695 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.46 -28.99 67.53 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . 0.436 ' HB2' HD22 ' A' ' 157' ' ' ASN . 80.0 t60 -64.34 -47.67 78.49 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.687 1.867 . . . . 25.0 111.564 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -70.45 -37.34 74.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.584 -1.189 . . . . 25.0 107.812 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.29 -49.61 76.94 Favored 'General case' 0 C--O 1.203 -1.369 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -62.75 -28.89 70.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.687 -1.149 . . . . 25.0 111.873 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.14 74.66 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -66.7 -40.39 88.45 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 114.935 -1.03 . . . . 25.0 112.841 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.0 p -74.29 -27.31 60.67 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 120.304 -1.497 . . . . 25.0 111.424 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.48 -43.16 86.16 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.18 -46.6 88.22 Favored 'General case' 0 CA--C 1.482 -1.672 0 C-N-CA 123.761 0.824 . . . . 25.0 111.317 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.98 -39.76 87.26 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.27 0.557 . . . . 25.0 112.428 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.5 t -88.42 -18.71 27.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.14 32.32 58.54 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 116.426 1.33 . . . . 25.0 116.426 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.0 pt -104.66 153.97 38.84 Favored Pre-proline 0 N--CA 1.492 1.64 0 N-CA-C 116.717 2.118 . . . . 25.0 116.717 -170.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.93 122.5 9.62 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 115.928 -2.248 . . . . 25.0 110.093 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.19 -26.59 68.43 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.771 -0.58 . . . . 25.0 112.111 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.44 52.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -101.2 18.49 19.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.762 1.289 . . . . 25.0 111.275 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 m -137.95 160.41 39.39 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-O 123.598 1.666 . . . . 25.0 112.901 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -132.8 153.34 51.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 126.346 1.858 . . . . 25.0 106.36 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -128.93 133.63 65.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 O-C-N 121.566 -0.709 . . . . 25.0 110.039 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.6 t -135.96 140.09 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.166 0.986 . . . . 25.0 110.556 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.49 141.96 41.51 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.62 37.91 21.15 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.575 1.179 . . . . 25.0 110.991 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.14 5.11 2.85 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -112.37 142.77 27.58 Favored Pre-proline 0 C--O 1.255 1.345 0 O-C-N 121.068 -1.02 . . . . 25.0 109.42 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.47 144.7 56.45 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.452 0.768 . . . . 25.0 112.53 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.09 94.97 7.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.663 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.7 p -110.96 -30.79 7.37 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 116.879 2.178 . . . . 25.0 116.879 -172.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.03 88.16 5.39 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.436 HD22 ' HB2' ' A' ' 128' ' ' HIS . 5.4 p-10 -66.8 -16.47 64.29 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 116.102 1.89 . . . . 25.0 116.102 -172.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -83.47 -18.42 38.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.256 1.503 . . . . 25.0 114.892 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -74.01 148.18 42.26 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.029 -1.441 . . . . 25.0 111.016 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 51.1 m -77.75 151.04 34.28 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 113.799 -1.546 . . . . 25.0 109.083 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.97 -34.91 79.19 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.795 0.807 . . . . 25.0 111.617 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.02 -27.06 65.09 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.736 -1.12 . . . . 25.0 110.204 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -16.42 60.31 Favored 'General case' 0 CA--C 1.553 1.095 0 O-C-N 121.455 -0.778 . . . . 25.0 111.547 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.47 -2.01 57.91 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.712 -0.618 . . . . 25.0 109.904 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 71.26 22.39 78.54 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 110.141 -1.184 . . . . 25.0 110.141 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.05 92.13 0.93 Allowed 'General case' 0 C--O 1.248 1.023 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -99.03 168.62 9.97 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.112 1.507 . . . . 25.0 111.183 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.82 119.57 4.76 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.477 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 105.83 -5.81 40.24 Favored Glycine 0 C--O 1.207 -1.592 0 CA-C-N 115.956 -0.566 . . . . 25.0 113.676 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -74.41 150.44 39.99 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 125.405 2.526 . . . . 25.0 111.256 173.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.3 128.05 72.65 Favored 'Isoleucine or valine' 0 C--O 1.256 1.435 0 CA-C-N 113.0 -1.909 . . . . 25.0 108.643 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.7 t -111.21 130.36 64.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 106.065 -1.828 . . . . 25.0 106.065 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.23 129.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 122.102 0.954 . . . . 25.0 108.61 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.23 136.84 52.78 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 105.558 -2.016 . . . . 25.0 105.558 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -119.42 108.97 15.21 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.827 0.822 . . . . 25.0 109.203 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 122.233 1.016 . . . . 25.0 109.375 177.659 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 . . . . . 0 CA--C 1.511 -0.525 0 N-CA-C 106.352 -1.722 . . . . 25.0 106.352 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.9 167.31 30.14 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.271 0.357 . . . . 25.0 110.092 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.0 tp -109.01 133.12 53.41 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.225 0.61 . . . . 25.0 109.637 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.8 mt -122.93 146.08 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.2 m -104.88 135.49 46.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.226 -1.028 . . . . 25.0 108.226 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.0 129.17 73.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.23 122.26 46.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.42 116.61 32.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.16 116.66 45.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.662 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -92.73 146.3 23.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -61.68 -29.6 70.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.497 0.665 . . . . 25.0 110.345 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.31 13.75 4.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.787 -1.097 . . . . 25.0 113.167 -176.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.0 mt 58.66 27.89 16.45 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 122.293 1.044 . . . . 25.0 112.141 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 m -90.33 25.71 2.15 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.575 -1.193 . . . . 25.0 109.728 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.39 155.54 40.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.067 -0.969 . . . . 25.0 112.919 -166.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.43 157.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -140.3 150.17 43.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 174.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -157.85 174.42 15.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 -176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.49 149.0 52.36 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.93 147.15 49.57 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.851 -0.425 . . . . 25.0 109.851 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -104.75 124.45 49.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.343 -1.355 . . . . 25.0 107.343 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.9 m -143.0 165.39 15.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.947 -0.569 . . . . 25.0 109.778 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -79.26 152.69 30.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.827 -1.546 . . . . 25.0 106.827 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.0 74.17 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.709 0.766 . . . . 25.0 109.836 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -93.08 9.93 33.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 25.0 112.385 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.39 137.92 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.59 144.14 55.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.36 -0.213 . . . . 25.0 111.279 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.5 -32.49 73.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -54.95 -48.27 73.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 25.0 111.56 175.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -77.9 -31.01 50.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.803 0.335 . . . . 25.0 111.035 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.83 -0.544 . . . . 25.0 111.59 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -66.6 -27.98 68.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.098 -0.641 . . . . 25.0 110.135 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.06 -38.8 69.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 110.182 -0.303 . . . . 25.0 110.182 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.58 -41.0 96.55 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.102 -0.499 . . . . 25.0 110.758 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.87 -44.62 96.44 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.835 0.454 . . . . 25.0 109.874 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.65 -47.28 76.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -71.29 -35.82 71.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 25.0 111.63 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.2 t -82.12 -29.79 31.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.348 . . . . 25.0 111.889 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.11 83.84 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.728 -0.749 . . . . 25.0 113.582 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 29.4 pt -124.05 140.24 34.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -63.37 134.01 43.02 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 116.942 -1.572 . . . . 25.0 115.324 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.91 68.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.44 -24.69 66.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.868 -0.605 . . . . 25.0 112.436 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.3 10.25 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.901 0.382 . . . . 25.0 111.161 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.0 p -142.56 173.49 11.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.152 0.501 . . . . 25.0 111.797 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -127.47 135.9 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -102.07 132.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.1 t -135.96 136.18 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.118 0.567 . . . . 25.0 111.241 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -143.86 143.44 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.58 42.09 29.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.202 0.601 . . . . 25.0 111.212 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 59.31 16.95 5.4 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.682 1.364 . . . . 25.0 114.682 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -126.49 136.96 29.42 Favored Pre-proline 0 N--CA 1.467 0.416 0 O-C-N 121.835 -0.541 . . . . 25.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.22 146.27 45.53 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 115.532 -2.512 . . . . 25.0 111.473 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 72.8 mt -93.1 81.91 4.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.3 p -97.87 -19.76 17.92 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.75 1.018 . . . . 25.0 113.75 -173.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -85.57 97.32 10.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -73.83 -18.41 60.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -81.51 -13.46 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 25.0 111.456 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -75.47 146.59 40.52 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 120.897 0.379 . . . . 25.0 110.71 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -81.71 165.36 21.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.19 -36.37 83.85 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.001 -0.437 . . . . 25.0 110.718 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.12 69.66 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.129 -0.357 . . . . 25.0 111.403 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.1 m -71.27 -16.55 62.48 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -97.46 -10.46 25.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.736 0.303 . . . . 25.0 110.316 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.34 20.41 60.49 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 111.247 -0.741 . . . . 25.0 111.247 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.34 83.81 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.29 167.44 18.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.923 -1.035 . . . . 25.0 111.994 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.1 128.11 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.624 -0.717 . . . . 25.0 110.664 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.69 -10.73 68.63 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.577 -0.738 . . . . 25.0 114.364 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.26 149.53 50.2 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 118.312 1.056 . . . . 25.0 111.206 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.3 t -112.68 126.86 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.171 -0.922 . . . . 25.0 110.338 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.52 139.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.5 mt -118.08 118.42 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.37 0.605 . . . . 25.0 109.702 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 4.9 tt -101.93 138.33 39.04 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -126.95 122.37 34.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.065 -0.397 . . . . 25.0 110.981 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 124.267 1.984 . . . . 25.0 110.593 176.47 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -123.24 163.84 19.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.4 tp -124.46 127.21 47.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.7 mt -120.77 143.44 48.81 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -97.72 143.54 28.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.672 -1.233 . . . . 25.0 107.672 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.12 125.64 69.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -112.15 108.17 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -100.29 117.52 34.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.246 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.0 t -106.02 131.33 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.907 0.384 . . . . 25.0 110.22 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -120.02 146.53 45.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 106.06 -1.829 . . . . 25.0 106.06 174.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -62.84 -23.32 67.23 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -92.25 30.22 1.51 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.056 0.455 . . . . 25.0 112.018 -176.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt 54.28 25.2 5.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.214 1.006 . . . . 25.0 112.286 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 m -92.02 25.49 2.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.094 -0.957 . . . . 25.0 109.724 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.32 154.69 40.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 25.0 111.883 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.8 p -152.6 155.62 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.5 t -137.0 147.37 46.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -155.53 175.67 13.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.758 -1.571 . . . . 25.0 106.758 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.2 m -129.42 148.81 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.45 148.6 49.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.143 -0.48 . . . . 25.0 109.915 -177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -99.29 129.4 45.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.67 166.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.367 -173.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.77 166.72 14.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 174.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.95 94.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.136 -0.353 . . . . 25.0 111.204 176.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -101.65 19.51 17.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.838 0.828 . . . . 25.0 111.657 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -59.97 128.55 37.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.632 -0.713 . . . . 25.0 109.648 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.43 142.37 57.6 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.563 -0.162 . . . . 25.0 110.563 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.07 -29.64 70.54 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.198 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . 0.426 ' HB2' HD22 ' A' ' 157' ' ' ASN . 80.5 t60 -59.39 -41.67 89.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.078 0.466 . . . . 25.0 110.303 175.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -75.8 -40.18 55.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.264 0.554 . . . . 25.0 109.854 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.9 -47.07 88.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -67.14 -27.9 67.69 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.324 -0.55 . . . . 25.0 111.145 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -39.89 70.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.92 -39.45 94.6 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.1 m -62.82 -42.8 99.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.881 -0.327 . . . . 25.0 110.392 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.74 -41.69 98.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.735 0.302 . . . . 25.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.87 -46.1 90.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 25.0 111.745 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.63 -33.4 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.387 0.613 . . . . 25.0 111.123 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.5 m -81.86 -26.88 33.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.885 1.069 . . . . 25.0 113.885 -177.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.98 31.98 81.18 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.419 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.08 148.47 42.4 Favored Pre-proline 0 C--O 1.219 -0.535 0 O-C-N 122.401 -0.47 . . . . 25.0 110.463 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.31 125.99 11.86 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 116.455 -1.897 . . . . 25.0 112.555 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.01 -24.57 67.12 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.862 -0.524 . . . . 25.0 111.565 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.7 -25.31 66.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.727 0.299 . . . . 25.0 111.678 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -106.16 13.77 28.53 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 122.616 0.366 . . . . 25.0 110.917 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -137.74 153.75 49.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.798 1.777 . . . . 25.0 115.798 -170.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -131.87 154.39 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -128.03 137.98 55.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.63 146.28 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.798 -0.637 . . . . 25.0 109.602 -171.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.31 42.13 25.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.061 0.458 . . . . 25.0 110.836 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 60.82 10.65 2.81 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.929 1.455 . . . . 25.0 114.929 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -113.46 134.19 22.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.01 150.66 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.402 -2.599 . . . . 25.0 112.053 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.14 54.28 2.75 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -22.2 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.821 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.25 76.76 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.296 -1.372 . . . . 25.0 107.296 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.426 HD22 ' HB2' ' A' ' 128' ' ' HIS . 4.4 p-10 -70.1 -9.42 55.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 -175.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -98.33 32.29 2.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.006 0.907 . . . . 25.0 110.068 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -129.38 152.83 48.51 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.109 -1.812 . . . . 25.0 106.109 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.2 p -84.97 167.58 15.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.113 0.482 . . . . 25.0 110.083 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.16 -34.65 75.38 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.465 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.62 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.299 -0.409 . . . . 25.0 111.217 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 31.8 t -71.09 -17.27 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -99.75 -6.77 26.48 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.71 25.49 69.68 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 110.155 -1.178 . . . . 25.0 110.155 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.51 81.19 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.758 0.79 . . . . 25.0 109.361 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -76.5 160.39 29.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.408 -1.269 . . . . 25.0 112.251 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.75 121.98 9.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.032 -0.985 . . . . 25.0 108.91 171.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.24 -20.59 28.03 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.811 -0.631 . . . . 25.0 113.952 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.07 160.69 32.43 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 117.872 0.836 . . . . 25.0 111.645 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -128.1 138.6 54.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.173 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.5 m -112.14 159.2 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -120.59 129.24 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.5 tt -115.92 134.43 54.99 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 105.996 -1.853 . . . . 25.0 105.996 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.01 117.38 22.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.832 0.348 . . . . 25.0 110.719 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 123.966 1.841 . . . . 25.0 111.266 179.186 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 100.483 -3.895 . . . . 25.0 100.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -121.23 140.36 52.15 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.174 -1.788 . . . . 25.0 106.174 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.9 122.08 46.08 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 mt -124.72 150.42 46.21 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -101.73 142.76 32.57 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.07 121.24 60.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -100.61 112.85 25.3 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.7 t -98.79 116.58 31.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.81 0.338 . . . . 25.0 110.334 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -93.91 112.53 26.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-O 121.36 0.6 . . . . 25.0 109.925 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -93.72 139.7 30.52 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.17 -28.47 69.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.167 0.508 . . . . 25.0 112.245 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.84 18.32 2.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.638 -0.71 . . . . 25.0 112.501 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.0 mt 58.48 27.0 14.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.513 1.125 . . . . 25.0 111.597 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.1 m -91.82 25.9 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.431 -1.259 . . . . 25.0 109.055 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.18 149.28 44.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.563 -169.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.87 161.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -166.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.3 t -128.97 145.79 51.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -152.67 171.85 17.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.402 -1.703 . . . . 25.0 106.402 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -129.21 150.38 50.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.324 0.511 . . . . 25.0 110.941 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.4 mt -133.73 149.8 51.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 25.0 111.229 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -102.36 129.05 48.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.49 164.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -84.15 166.67 17.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.21 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.014 -0.429 . . . . 25.0 110.918 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -96.63 13.24 28.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.479 0.657 . . . . 25.0 111.116 -175.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.52 132.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 25.0 109.395 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.0 152.08 37.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.481 0.181 . . . . 25.0 111.28 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.3 -27.82 68.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 170.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.52 -41.75 86.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.387 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -81.16 -34.01 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.439 177.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.64 -42.07 99.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -61.83 -33.89 74.97 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 120.598 -0.441 . . . . 25.0 110.957 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.85 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.353 0.597 . . . . 25.0 109.509 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.1 -41.31 99.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.682 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 22.2 p -77.17 -25.19 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.825 -0.547 . . . . 25.0 111.869 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.53 -39.61 91.97 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.12 -45.41 92.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.319 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.09 -42.59 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.155 0.502 . . . . 25.0 111.864 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.6 t -85.27 -15.93 41.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.58 25.73 71.6 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 121.166 -0.54 . . . . 25.0 114.228 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 4.0 pt -137.22 141.92 36.0 Favored Pre-proline 0 N--CA 1.469 0.496 0 N-CA-C 109.068 -0.715 . . . . 25.0 109.068 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.98 140.26 65.28 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 116.29 -2.007 . . . . 25.0 114.203 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -25.98 68.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.844 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.08 62.91 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.969 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.15 17.26 17.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.311 0.577 . . . . 25.0 110.383 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -146.16 177.38 9.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -134.39 158.0 44.96 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -125.69 138.25 55.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.15 140.03 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 -177.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -141.78 134.43 28.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.424 -1.324 . . . . 25.0 107.424 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 40.65 27.25 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.004 0.522 . . . . 25.0 109.973 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 59.61 7.0 0.92 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.43 1.641 . . . . 25.0 115.43 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -105.57 132.88 20.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 121.679 -0.638 . . . . 25.0 109.874 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.67 149.95 61.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 115.95 -2.233 . . . . 25.0 110.722 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.55 114.48 28.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.3 p -114.98 -33.82 5.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -83.49 72.66 10.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.932 0.873 . . . . 25.0 109.238 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -66.7 -13.44 61.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.128 -0.942 . . . . 25.0 113.53 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -72.19 -15.82 61.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.564 0.697 . . . . 25.0 110.728 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.21 148.72 24.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.419 -0.801 . . . . 25.0 110.201 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.5 p -75.6 160.98 29.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.725 . . . . 25.0 109.423 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.95 -29.89 70.37 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.11 0.481 . . . . 25.0 111.186 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.38 70.32 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.093 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.3 t -69.8 -16.48 63.29 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -101.66 -4.86 25.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.98 66.49 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.964 -0.855 . . . . 25.0 110.964 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.41 79.2 2.46 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.682 0.754 . . . . 25.0 110.293 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.79 157.7 36.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.849 -1.069 . . . . 25.0 112.341 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.29 130.33 44.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.975 -1.011 . . . . 25.0 108.759 171.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.88 -17.39 49.17 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.349 -0.842 . . . . 25.0 113.27 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -79.75 169.6 17.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 117.91 0.855 . . . . 25.0 112.012 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.6 p -133.93 142.21 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 120.958 0.408 . . . . 25.0 111.595 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.84 160.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 107.465 -1.309 . . . . 25.0 107.465 175.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 86.9 mt -122.08 125.29 72.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -106.79 132.44 52.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 106.257 -1.756 . . . . 25.0 106.257 176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -118.22 113.01 20.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.177 0.513 . . . . 25.0 109.996 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 123.782 1.753 . . . . 25.0 111.894 179.054 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.334 0 N-CA-C 105.567 -2.012 . . . . 25.0 105.567 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -120.76 166.96 13.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 123.125 0.57 . . . . 25.0 111.443 -172.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.3 tp -117.86 131.79 56.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.0 mt -123.66 156.98 34.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.0 m -111.15 138.78 47.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.67 127.62 72.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -110.11 114.14 27.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.91 121.37 41.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.82 131.74 54.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.104 0.478 . . . . 25.0 110.861 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -123.12 143.7 49.82 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -65.48 -23.41 66.9 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.957 0.355 . . . . 25.0 111.957 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -88.54 25.66 1.65 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.161 0.505 . . . . 25.0 110.988 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt 52.42 29.79 7.4 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.444 1.098 . . . . 25.0 113.431 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.12 21.31 5.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.405 -0.816 . . . . 25.0 110.158 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -72.47 148.0 45.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.321 -170.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -155.05 160.48 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 -171.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -133.45 147.77 51.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -152.35 171.1 18.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.5 p -123.55 145.63 48.73 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.5 mt -121.84 144.64 48.71 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -113.62 118.67 35.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -144.52 163.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -79.56 166.68 21.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.32 94.14 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.65 0.262 . . . . 25.0 110.627 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -90.79 11.97 20.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.515 0.674 . . . . 25.0 112.724 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.84 130.71 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.27 148.98 46.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.95 0.405 . . . . 25.0 111.483 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -60.91 -35.62 77.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 25.0 109.967 175.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -35.74 76.15 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.597 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.84 -38.02 23.6 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.506 0.669 . . . . 25.0 109.991 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.54 -46.1 91.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.994 -0.441 . . . . 25.0 112.003 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -27.92 68.42 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.298 -0.561 . . . . 25.0 110.481 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.88 71.43 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.24 -41.0 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 25.0 110.368 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 12.0 p -73.17 -25.36 60.77 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.183 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.84 -40.59 91.89 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.882 -0.785 . . . . 25.0 108.882 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.92 -45.91 90.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 25.0 111.507 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -35.66 76.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.162 0.506 . . . . 25.0 111.531 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 45.0 m -79.94 -23.86 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.67 22.63 73.61 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.765 0.666 . . . . 25.0 114.765 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 33.9 pt -135.4 150.4 72.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 117.088 0.444 . . . . 25.0 110.582 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.0 127.02 16.11 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.499 -1.868 . . . . 25.0 113.358 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.32 -24.67 66.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.353 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.34 70.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -105.64 16.61 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.242 1.02 . . . . 25.0 109.294 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -126.61 178.03 6.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.992 -1.004 . . . . 25.0 109.076 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -134.32 147.31 50.55 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.815 -1.179 . . . . 25.0 107.815 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.24 134.12 67.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.0 -1.481 . . . . 25.0 107.0 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 63.3 t -136.15 137.75 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 123.381 0.673 . . . . 25.0 110.569 -170.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -141.11 141.03 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.91 44.45 25.31 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.834 0.454 . . . . 25.0 111.396 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.41 16.24 4.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -123.84 141.27 36.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.2 145.87 50.03 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 115.099 -2.8 . . . . 25.0 111.129 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 127' ' ' LEU . 21.6 mt -92.02 91.19 7.72 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -110.47 -34.52 6.3 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.233 1.938 . . . . 25.0 116.233 -172.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -80.82 89.97 5.85 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 2.3 p-10 -68.89 -12.0 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 -171.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -76.95 -8.08 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.786 0.679 . . . . 25.0 112.309 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.35 150.66 22.46 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 110.008 -0.368 . . . . 25.0 110.008 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.0 p -82.31 164.48 21.09 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 169.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.71 -34.31 77.91 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 122.012 -0.43 . . . . 25.0 111.58 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.9 -30.16 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 25.0 111.046 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.2 m -70.2 -16.46 63.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -100.25 -10.41 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 109.937 -0.394 . . . . 25.0 109.937 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 89.45 20.15 46.12 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-O 119.647 -0.529 . . . . 25.0 113.926 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.5 87.75 0.32 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 117.889 0.845 . . . . 25.0 110.552 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.72 162.02 25.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.138 0.494 . . . . 25.0 110.569 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -57.98 131.06 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.543 0.687 . . . . 25.0 109.69 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.67 -11.37 66.53 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 115.192 -0.913 . . . . 25.0 114.406 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.96 153.69 39.79 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 118.608 1.204 . . . . 25.0 111.916 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.9 t -115.44 129.29 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 25.0 111.003 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.73 142.53 21.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.7 mt -116.65 123.8 72.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.416 0.627 . . . . 25.0 109.372 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.85 135.97 44.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.609 -1.997 . . . . 25.0 105.609 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 39.0 mtp-105 -135.77 106.52 6.57 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.837 -0.539 . . . . 25.0 112.046 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 124.977 2.322 . . . . 25.0 111.181 177.612 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 . . . . . 0 C--O 1.236 0.392 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -145.94 163.89 33.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.756 -1.202 . . . . 25.0 107.756 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.4 tp -112.45 133.25 54.63 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 122.317 0.247 . . . . 25.0 110.58 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -125.03 155.84 39.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -108.75 135.32 50.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.77 127.79 72.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -113.59 112.38 23.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.027 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -96.7 131.23 43.59 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.4 t -124.66 131.54 72.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 120.807 0.337 . . . . 25.0 111.194 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.72 147.53 45.79 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 173.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -65.17 -16.98 64.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.134 0.492 . . . . 25.0 111.526 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.78 15.77 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.811 -1.086 . . . . 25.0 111.661 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt 57.88 24.83 11.34 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.116 1.154 . . . . 25.0 114.116 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.95 25.84 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.801 0.81 . . . . 25.0 109.2 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -72.2 145.82 47.76 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.845 -1.071 . . . . 25.0 109.905 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.4 p -152.78 144.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 -174.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.5 t -123.48 141.87 51.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -153.26 173.93 14.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.097 -1.816 . . . . 25.0 106.097 -175.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.7 p -123.71 155.27 38.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -131.0 140.45 50.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.064 0.459 . . . . 25.0 109.983 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -101.32 113.63 26.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.59 165.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 122.556 0.342 . . . . 25.0 111.342 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -79.07 160.28 27.16 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.77 78.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.64 16.27 10.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.724 0.773 . . . . 25.0 112.168 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -67.85 128.05 35.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 25.0 109.861 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.02 143.22 58.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.804 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -29.38 70.48 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.08 0.467 . . . . 25.0 109.942 176.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -59.48 -43.19 93.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.73 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.58 -32.62 53.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.797 -0.564 . . . . 25.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.45 -43.26 99.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -27.66 67.55 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.688 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.35 67.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 117.999 0.363 . . . . 25.0 110.074 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.11 -38.18 87.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.36 -42.82 99.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.258 -0.428 . . . . 25.0 110.341 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.36 -40.96 92.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 25.0 110.613 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.46 -46.13 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 25.0 111.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -71.65 -40.02 69.96 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.254 0.55 . . . . 25.0 112.466 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.2 p -82.58 -24.11 34.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.61 21.26 76.23 Favored Glycine 0 CA--C 1.515 0.082 0 C-N-CA 121.107 -0.568 . . . . 25.0 114.327 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.76 146.47 50.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -62.85 119.13 6.08 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 117.057 -1.495 . . . . 25.0 113.752 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.46 -24.32 67.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 25.0 109.989 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.18 -24.57 67.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.945 -0.57 . . . . 25.0 112.537 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.86 14.84 27.49 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 120.772 0.32 . . . . 25.0 111.409 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.0 p -133.88 165.29 25.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -173.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -125.17 149.99 47.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 107.0 -1.482 . . . . 25.0 107.0 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -121.62 136.15 59.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.601 -0.889 . . . . 25.0 108.601 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.97 136.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 124.028 0.931 . . . . 25.0 110.665 -168.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -141.2 143.56 34.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.361 -1.718 . . . . 25.0 106.361 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.61 45.24 27.02 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.458 0.647 . . . . 25.0 111.211 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 60.37 7.36 1.28 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.809 1.781 . . . . 25.0 115.809 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -124.38 145.89 50.29 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.479 -0.763 . . . . 25.0 111.924 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.67 148.85 53.87 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 115.182 -2.746 . . . . 25.0 112.072 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.86 122.59 33.7 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 105.211 -2.144 . . . . 25.0 105.211 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 43.1 p -113.06 -43.51 3.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -82.28 101.33 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -76.04 -10.77 59.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.627 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -90.4 32.27 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.099 0.874 . . . . 25.0 111.95 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -134.13 142.2 47.39 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -77.46 163.38 26.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.055 0.455 . . . . 25.0 110.702 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.18 -39.75 83.52 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 121.443 0.64 . . . . 25.0 111.197 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.98 68.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.821 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m -72.7 -18.51 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.867 0.321 . . . . 25.0 111.867 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.53 -6.84 26.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.26 20.5 56.97 Favored Glycine 0 C--O 1.226 -0.393 0 C-N-CA 121.177 -0.535 . . . . 25.0 114.093 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 90.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.809 0.804 . . . . 25.0 110.499 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -80.69 162.05 24.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.011 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.92 129.14 36.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.033 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.52 -10.1 66.87 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-O 119.302 -0.721 . . . . 25.0 114.415 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.13 153.8 42.79 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 118.418 1.109 . . . . 25.0 110.989 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.03 130.67 67.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.871 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.19 137.75 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.92 131.2 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.9 tt -121.08 137.75 54.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 25.0 108.655 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.04 123.91 41.94 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 122.148 -0.345 . . . . 25.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 124.395 2.045 . . . . 25.0 110.688 178.09 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.3 p80 . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -111.86 -179.66 3.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 122.816 0.446 . . . . 25.0 110.144 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.0 tp -133.64 133.15 41.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.1 153.75 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -102.29 140.65 36.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.62 131.63 72.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -120.77 109.29 14.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -93.98 134.51 36.3 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.2 t -130.04 130.97 66.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.137 0.494 . . . . 25.0 112.065 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -132.95 144.44 50.13 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 105.199 -2.148 . . . . 25.0 105.199 171.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.69 -10.93 60.21 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.42 26.72 1.61 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.032 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.91 29.72 8.19 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.702 1.201 . . . . 25.0 113.298 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 21.23 9.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.799 0.809 . . . . 25.0 108.929 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.62 147.76 41.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.296 -0.866 . . . . 25.0 110.169 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.07 152.86 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 t -134.99 147.45 49.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -156.66 174.89 14.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.555 -1.646 . . . . 25.0 106.555 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -126.71 147.66 49.94 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.6 mt -126.24 147.24 49.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.23 128.07 43.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.84 161.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -81.97 168.23 18.08 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.07 75.3 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 12.12 12.24 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.819 -0.628 . . . . 25.0 112.553 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.85 129.57 41.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -69.6 147.65 50.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.051 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.85 -35.73 80.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -57.87 -40.08 79.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 25.0 110.364 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -78.05 -38.84 43.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 120.886 0.374 . . . . 25.0 110.328 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.46 -44.3 96.74 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.81 73.11 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.284 -0.567 . . . . 25.0 110.572 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.98 64.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.068 0.461 . . . . 25.0 110.268 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.55 -41.39 93.08 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.882 -0.511 . . . . 25.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 15.5 p -75.22 -26.04 58.61 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.238 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.55 -43.69 84.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.93 -44.68 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.533 -0.758 . . . . 25.0 111.725 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -70.81 -42.88 69.7 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 -178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.0 p -79.63 -22.33 43.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.89 14.2 82.85 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.792 -0.718 . . . . 25.0 114.463 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.2 pt -125.07 138.46 31.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 117.46 0.63 . . . . 25.0 109.339 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -64.44 134.69 42.68 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.477 1.299 . . . . 25.0 115.477 -172.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -23.98 64.46 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.82 63.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.012 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -100.58 9.91 41.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.587 0.708 . . . . 25.0 109.227 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.5 m -131.96 168.71 17.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.615 0.721 . . . . 25.0 111.721 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -128.49 146.82 50.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 106.822 -1.548 . . . . 25.0 106.822 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.7 tt -120.71 134.55 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.6 t -128.77 139.44 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 124.252 1.021 . . . . 25.0 110.046 -167.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -137.84 139.31 39.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 42.81 25.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.205 0.526 . . . . 25.0 110.832 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 58.83 12.88 2.46 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.661 1.726 . . . . 25.0 115.661 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -119.81 142.65 33.51 Favored Pre-proline 0 N--CA 1.47 0.533 0 O-C-N 121.609 -0.682 . . . . 25.0 110.818 175.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.09 145.59 49.91 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 116.566 -1.823 . . . . 25.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 12.1 mt -89.88 94.1 9.68 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.1 p -108.79 -24.24 11.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.85 1.796 . . . . 25.0 115.85 -174.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -85.64 79.33 9.39 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -67.06 -2.78 5.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.463 1.282 . . . . 25.0 114.463 -173.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.47 10.58 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.335 0.654 . . . . 25.0 112.368 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -118.11 143.91 46.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 122.072 -0.392 . . . . 25.0 110.989 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 81.5 p -76.02 160.38 29.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.918 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.91 -34.38 78.26 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.476 0.655 . . . . 25.0 112.582 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.94 -28.03 69.8 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.044 -0.41 . . . . 25.0 110.397 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.3 t -69.1 -16.95 63.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.853 0.316 . . . . 25.0 111.853 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -101.98 -6.18 23.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.13 20.65 56.99 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 119.116 -0.825 . . . . 25.0 113.828 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.92 85.91 0.7 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.538 1.169 . . . . 25.0 109.554 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -82.26 167.82 18.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.3 0.571 . . . . 25.0 110.877 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -55.34 126.32 24.5 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.671 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.92 -10.29 66.04 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.602 -0.726 . . . . 25.0 114.515 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.55 163.31 28.2 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 117.85 0.825 . . . . 25.0 111.22 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.8 t -125.31 139.38 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 -171.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.55 156.5 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.8 mt -121.63 128.7 75.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 10.0 tt -113.16 133.98 54.78 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.96 128.25 51.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.964 -0.46 . . . . 25.0 110.227 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 123.596 0.758 . . . . 25.0 111.065 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.2 p80 . . . . . 0 N--CA 1.458 -0.053 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -99.57 169.19 9.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.468 0.651 . . . . 25.0 112.232 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.8 tp -131.75 131.93 43.4 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.12 153.82 40.92 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -103.52 140.74 37.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.18 123.64 65.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -109.94 112.85 25.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.54 125.86 49.4 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.234 -0.291 . . . . 25.0 110.473 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.73 130.64 58.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-O 121.13 0.49 . . . . 25.0 110.93 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -125.08 145.38 49.95 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.972 -1.492 . . . . 25.0 106.972 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -65.11 -24.08 67.32 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.308 1.225 . . . . 25.0 114.308 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 16.07 2.57 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.206 0.447 . . . . 25.0 112.206 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.5 mt 58.09 28.06 15.83 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.496 1.141 . . . . 25.0 109.881 -173.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.6 t -89.27 25.54 1.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.968 -1.469 . . . . 25.0 107.718 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -72.68 150.99 42.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.793 -1.094 . . . . 25.0 109.461 -176.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.6 p -152.1 153.81 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 25.0 107.981 -174.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -130.97 142.56 50.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -155.06 176.92 11.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.862 -1.533 . . . . 25.0 106.862 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.9 m -128.45 148.49 50.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.903 0.319 . . . . 25.0 110.309 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.69 143.51 50.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.316 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.22 128.9 44.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.51 161.06 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 -175.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.15 167.67 10.07 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.64 72.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.137 0.494 . . . . 25.0 110.698 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -85.5 2.6 44.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.582 -0.736 . . . . 25.0 112.601 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.64 125.81 28.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.715 -0.616 . . . . 25.0 111.532 -176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.3 152.46 43.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.967 -0.561 . . . . 25.0 112.476 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 157' ' ' ASN . 0.1 OUTLIER -63.26 -35.51 80.59 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 170.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -58.85 -44.28 90.96 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.123 0.487 . . . . 25.0 111.163 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -73.67 -34.21 64.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.79 0.329 . . . . 25.0 110.15 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -63.37 -42.86 98.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -65.87 -30.01 70.55 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.471 -0.892 . . . . 25.0 110.829 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.28 63.87 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.266 0.555 . . . . 25.0 110.374 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.62 -36.66 84.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.518 0.675 . . . . 25.0 109.64 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.73 -35.56 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.391 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.46 -38.23 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.079 -0.341 . . . . 25.0 110.079 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.98 -44.13 97.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.71 -31.28 41.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.621 0.6 . . . . 25.0 112.621 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.8 p -89.83 -20.32 23.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 -174.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.53 70.95 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.328 0.891 . . . . 25.0 115.328 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.64 153.62 81.18 Favored Pre-proline 0 C--O 1.219 -0.518 0 CA-C-N 117.425 0.613 . . . . 25.0 110.4 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.49 124.47 12.91 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 116.697 -1.735 . . . . 25.0 113.211 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.51 -24.82 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.517 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.98 69.14 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -96.01 27.06 3.78 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.747 0.784 . . . . 25.0 109.973 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -140.74 159.49 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 -173.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.72 147.15 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.34 133.75 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.5 m -129.82 152.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.815 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -136.68 131.94 34.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 103.677 -2.712 . . . . 25.0 103.677 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.06 42.15 28.24 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -171.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 59.66 5.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.257 1.947 . . . . 25.0 116.257 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -109.09 139.8 21.32 Favored Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 121.646 -0.658 . . . . 25.0 109.712 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.48 145.33 52.67 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 116.992 -1.539 . . . . 25.0 116.042 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 80.4 mt -96.78 109.5 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 176.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 51.9 p -118.24 -35.67 3.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -172.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -81.66 96.51 7.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.869 0.842 . . . . 25.0 110.481 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 80.9 m-20 -65.08 -19.01 65.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -175.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -72.09 -19.16 61.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.38 0.609 . . . . 25.0 112.128 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -89.61 147.63 23.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.664 -0.647 . . . . 25.0 112.26 -176.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 93.7 p -78.87 161.05 27.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 109.446 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.89 -34.61 78.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.095 0.474 . . . . 25.0 111.309 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.09 71.19 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.189 -0.319 . . . . 25.0 110.305 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.7 t -69.95 -20.14 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.437 -0.165 . . . . 25.0 110.652 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -94.4 -5.59 46.04 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.7 21.16 56.76 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-O 119.264 -0.742 . . . . 25.0 113.355 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.56 86.72 0.89 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.271 1.035 . . . . 25.0 109.645 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -72.92 161.54 30.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.482 -0.781 . . . . 25.0 110.371 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -59.42 127.34 31.62 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 174.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.21 58.35 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.573 -0.74 . . . . 25.0 114.2 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.15 156.39 36.33 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.365 1.082 . . . . 25.0 110.745 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.28 139.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 25.0 110.614 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.17 156.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.8 mt -122.81 129.07 75.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.77 136.79 52.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -130.41 108.85 10.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 123.607 1.67 . . . . 25.0 111.724 -177.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 104.532 -2.396 . . . . 25.0 104.532 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 44.3 mtm -131.81 171.03 14.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.726 0.298 . . . . 25.0 110.794 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.76 133.06 47.97 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.74 152.63 47.5 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -101.18 137.63 39.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.18 122.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -106.57 114.79 29.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.75 130.91 44.68 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.9 t -115.37 131.88 66.37 Favored 'Isoleucine or valine' 0 C--O 1.245 0.84 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -124.71 145.74 49.53 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 169.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.4 -30.66 71.37 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.75 23.26 1.0 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.7 mt 56.11 30.89 17.17 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.508 1.123 . . . . 25.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.77 24.59 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -72.39 152.69 41.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.532 -1.213 . . . . 25.0 110.389 -174.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -150.55 154.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.412 -1.699 . . . . 25.0 106.412 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -132.55 142.68 49.28 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 175.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -150.34 176.15 11.16 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 106.477 -1.675 . . . . 25.0 106.477 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 91.7 p -128.81 152.58 48.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.5 mt -128.61 141.36 51.38 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.217 0.532 . . . . 25.0 110.366 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -91.54 127.74 37.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.716 -1.957 . . . . 25.0 105.716 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.68 -179.64 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 -174.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -108.96 166.96 10.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.787 -0.819 . . . . 25.0 108.787 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.23 91.37 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -92.89 15.53 14.61 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.694 0.759 . . . . 25.0 111.925 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.64 127.51 31.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.556 . . . . 25.0 110.518 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -69.98 148.6 48.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.812 0.339 . . . . 25.0 110.669 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.49 -28.16 69.47 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.115 -0.366 . . . . 25.0 111.467 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.79 -44.46 96.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.65 0.738 . . . . 25.0 109.351 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.92 -40.26 68.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.676 0.75 . . . . 25.0 109.592 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.09 -42.62 98.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -69.47 -29.6 67.3 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.611 -0.836 . . . . 25.0 111.315 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.76 79.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 mp -63.12 -43.38 98.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.653 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.6 p -76.74 -25.07 53.08 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 119.685 -0.806 . . . . 25.0 112.022 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.46 -41.49 96.48 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.45 -45.21 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.821 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -68.98 -35.72 77.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.275 0.559 . . . . 25.0 111.184 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.1 m -80.23 -26.01 39.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.52 30.42 73.1 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.49 0.556 . . . . 25.0 114.49 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.04 152.58 77.74 Favored Pre-proline 0 N--CA 1.473 0.71 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -68.87 134.52 30.1 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 115.812 -2.325 . . . . 25.0 112.998 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.05 67.87 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.965 -0.459 . . . . 25.0 110.737 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.79 -22.33 66.96 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -103.49 8.5 37.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.976 0.362 . . . . 25.0 111.976 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 78.6 p -143.4 167.28 22.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -173.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.35 160.3 38.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 tt -124.98 134.93 65.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.306 -0.628 . . . . 25.0 109.306 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.16 138.4 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 124.247 1.019 . . . . 25.0 110.551 -168.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -142.84 143.72 32.22 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.453 -1.314 . . . . 25.0 107.453 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.09 44.94 28.44 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.837 0.455 . . . . 25.0 110.773 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.7 9.76 2.32 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.25 1.574 . . . . 25.0 115.25 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.14 145.08 54.05 Favored Pre-proline 0 N--CA 1.466 0.353 0 O-C-N 121.771 -0.581 . . . . 25.0 112.17 -178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.87 145.02 49.67 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 116.39 -1.94 . . . . 25.0 112.166 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.6 mt -88.3 80.46 7.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -80.74 -39.27 27.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.276 1.584 . . . . 25.0 115.276 -171.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -83.76 89.66 7.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.713 0.768 . . . . 25.0 110.394 -176.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -71.22 -7.67 48.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.418 1.266 . . . . 25.0 114.418 -174.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -83.52 -15.83 47.87 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.133 0.492 . . . . 25.0 111.532 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.39 153.31 22.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.713 -0.617 . . . . 25.0 111.335 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.9 p -81.62 161.54 23.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.814 -0.63 . . . . 25.0 110.506 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.13 -36.49 84.19 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.89 70.87 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.191 -0.318 . . . . 25.0 110.621 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 23.0 t -66.75 -19.85 65.84 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.172 -0.33 . . . . 25.0 111.253 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -101.36 -2.82 30.01 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.903 0.382 . . . . 25.0 110.07 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 78.98 28.64 53.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-O 119.169 -0.795 . . . . 25.0 112.694 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.01 83.89 1.26 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.633 1.217 . . . . 25.0 109.454 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -68.41 151.56 46.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.241 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.47 133.12 55.8 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.61 -11.03 66.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.628 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.87 164.95 26.01 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 118.884 1.342 . . . . 25.0 112.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 24.1 t -115.27 132.4 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.468 0.651 . . . . 25.0 111.924 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 4.1 t -112.08 144.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.234 -1.395 . . . . 25.0 107.234 178.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.41 120.78 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.377 0.608 . . . . 25.0 109.477 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.1 tt -99.4 130.92 45.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.545 -2.02 . . . . 25.0 105.545 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -124.33 120.04 31.01 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.306 -0.872 . . . . 25.0 112.66 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.208 -1.115 0 CA-C-O 123.89 1.805 . . . . 25.0 109.737 168.754 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -131.73 164.96 24.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.818 -0.438 . . . . 25.0 109.818 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -122.28 133.59 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.01 154.39 39.92 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.39 138.09 47.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.131 -1.063 . . . . 25.0 108.131 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.59 131.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -117.04 113.44 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.713 -1.218 . . . . 25.0 107.713 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 78.8 m -98.96 135.7 40.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.84 131.94 70.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 122.893 0.477 . . . . 25.0 111.921 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -124.29 148.27 47.54 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -66.04 -22.38 66.43 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.51 18.53 2.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 25.0 111.583 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.9 mt 57.09 28.82 15.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.09 0.956 . . . . 25.0 111.476 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.7 m -90.45 26.04 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 25.0 109.284 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.35 148.1 45.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.844 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.48 157.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 -173.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -136.24 149.67 48.62 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.023 -1.103 . . . . 25.0 108.023 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.55 173.15 17.35 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.09 -1.818 . . . . 25.0 106.09 -176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.8 m -124.84 150.02 46.85 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.095 -0.706 . . . . 25.0 109.095 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.07 143.55 51.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -102.36 125.98 49.24 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.547 -1.649 . . . . 25.0 106.547 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.64 166.58 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.43 166.96 12.97 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.5 74.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.42 -5.16 57.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 25.0 112.299 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.5 127.71 32.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.288 0.566 . . . . 25.0 110.879 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' A' ' 129' ' ' ASN . 1.6 pm0 -79.27 150.85 31.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.164 0.801 . . . . 25.0 113.164 -174.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 25.0 109.685 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -58.69 -44.84 90.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 25.0 112.067 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.517 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 76.0 m-20 -80.76 -30.34 36.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.167 -0.47 . . . . 25.0 109.98 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.13 -45.48 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.97 -0.457 . . . . 25.0 112.046 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -65.74 -28.29 68.93 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.043 -0.663 . . . . 25.0 110.856 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.9 70.59 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.98 -37.74 88.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.676 -0.491 . . . . 25.0 109.676 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.08 -40.61 94.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.92 -0.487 . . . . 25.0 110.512 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.53 -40.33 96.45 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.087 0.555 . . . . 25.0 110.709 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.84 -45.91 90.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 25.0 112.085 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -79.36 -34.7 41.81 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.675 0.621 . . . . 25.0 112.675 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 89.7 p -81.65 -24.59 36.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.32 70.38 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 115.068 0.787 . . . . 25.0 115.068 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.4 pt -125.2 145.65 51.3 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.27 128.22 23.25 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 116.407 -1.928 . . . . 25.0 114.177 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.17 -27.3 67.91 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.78 -24.83 67.02 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -95.96 -0.69 50.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 25.0 110.672 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 m -119.38 161.01 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -170.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -121.54 146.36 47.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.35 -0.982 . . . . 25.0 108.35 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -121.75 131.05 73.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 -175.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.42 133.88 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.489 0.716 . . . . 25.0 111.228 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -136.54 139.78 42.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.35 -1.722 . . . . 25.0 106.35 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.39 41.52 28.32 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 123.002 0.521 . . . . 25.0 111.482 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.65 13.68 3.56 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.051 1.501 . . . . 25.0 115.051 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -119.48 136.92 24.92 Favored Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 121.733 -0.604 . . . . 25.0 110.716 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.65 149.42 48.91 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 115.995 -2.203 . . . . 25.0 112.059 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.1 mt -99.46 89.99 4.36 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.2 p -99.42 -20.86 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.849 1.425 . . . . 25.0 114.849 -172.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.96 99.37 12.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -65.65 -20.07 66.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.391 -0.822 . . . . 25.0 112.484 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -83.53 -6.03 59.33 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -90.97 148.24 22.55 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 121.353 -0.842 . . . . 25.0 109.923 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 92.7 p -79.59 159.04 26.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 173.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 35.6 mt -65.22 -33.39 75.88 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.451 0.643 . . . . 25.0 110.951 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.043 -0.411 . . . . 25.0 110.005 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.86 -17.1 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.266 -0.271 . . . . 25.0 110.724 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.53 -6.36 40.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.04 19.7 56.96 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 114.267 0.467 . . . . 25.0 114.267 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.23 88.6 0.84 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.53 0.665 . . . . 25.0 111.009 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.07 155.74 33.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.598 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -59.69 130.65 47.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.97 -11.55 67.68 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.584 -0.734 . . . . 25.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -65.72 148.8 51.16 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.162 0.981 . . . . 25.0 111.086 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.3 t -108.61 128.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.784 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.52 135.73 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.194 -1.039 . . . . 25.0 108.194 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.27 120.48 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.4 tt -113.27 131.47 55.91 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -130.73 132.04 45.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -172.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 118.118 -0.944 . . . . 25.0 109.866 170.405 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 p80 . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 105.031 -2.211 . . . . 25.0 105.031 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -144.48 164.6 30.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.187 -0.671 . . . . 25.0 109.187 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.25 130.02 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.29 153.71 38.56 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -104.97 141.06 37.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.4 124.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.27 109.07 19.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.3 t -93.69 134.3 36.15 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.7 t -127.55 131.34 70.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.142 0.496 . . . . 25.0 111.962 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.24 147.17 50.22 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 171.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -66.17 -25.89 67.16 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 111.899 0.333 . . . . 25.0 111.899 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -81.18 23.18 0.6 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt 57.46 29.75 17.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.507 1.123 . . . . 25.0 112.11 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.97 21.16 4.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.411 -0.813 . . . . 25.0 109.059 176.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.56 146.08 46.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.164 -0.925 . . . . 25.0 111.111 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 148.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -125.96 143.03 51.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -155.61 174.48 15.21 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.789 -1.56 . . . . 25.0 106.789 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -130.19 149.78 51.74 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.0 mt -130.28 148.04 52.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.077 -0.511 . . . . 25.0 110.752 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -97.42 127.99 43.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.6 m -140.44 163.16 23.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -83.44 161.59 21.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.02 73.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 25.0 109.89 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.97 8.78 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.415 -0.811 . . . . 25.0 112.625 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -63.92 127.04 29.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.257 0.551 . . . . 25.0 109.985 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.2 149.57 47.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.622 -177.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -61.68 -35.59 78.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.267 178.136 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -60.37 -46.78 88.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 25.0 110.0 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -69.22 -31.65 70.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.6 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -63.39 -41.43 98.76 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.17 -0.331 . . . . 25.0 111.685 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -60.77 -44.89 96.19 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.091 0.472 . . . . 25.0 109.938 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.7 98.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 25.0 111.229 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.08 -37.46 85.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.284 0.564 . . . . 25.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.73 -41.58 99.25 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.585 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.62 -41.56 99.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.542 0.337 . . . . 25.0 110.179 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.08 -48.73 78.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.926 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.63 -43.08 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.373 0.606 . . . . 25.0 111.884 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.4 t -79.93 -16.1 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.82 24.97 75.07 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.347 -0.454 . . . . 25.0 113.914 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.1 pt -133.94 145.84 57.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -65.39 133.76 36.11 Favored 'Trans proline' 0 C--O 1.238 0.511 0 C-N-CA 115.992 -2.205 . . . . 25.0 113.069 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.25 68.3 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.78 71.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.756 0.312 . . . . 25.0 111.775 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -83.55 9.62 10.95 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.595 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.3 p -137.24 160.67 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 116.419 2.007 . . . . 25.0 116.419 -173.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -120.03 152.95 36.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.728 -1.124 . . . . 25.0 108.045 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.2 tt -121.37 136.16 59.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.33 138.46 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -138.12 131.24 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.94 41.77 27.42 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.147 0.499 . . . . 25.0 110.546 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 60.73 11.49 3.18 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.202 1.556 . . . . 25.0 115.202 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -110.96 132.2 21.77 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 121.721 -0.612 . . . . 25.0 109.403 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -70.89 146.86 54.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 115.256 -2.696 . . . . 25.0 111.361 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.489 ' HB3' HD11 ' A' ' 127' ' ' LEU . 81.4 mt -102.56 98.75 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 75.0 p -115.41 -22.84 9.13 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 87.76 7.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.116 0.96 . . . . 25.0 110.054 -177.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.96 -15.3 62.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.706 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.07 3.88 4.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.858 1.058 . . . . 25.0 113.858 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -120.83 141.17 50.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.523 -0.736 . . . . 25.0 110.789 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.13 161.48 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.516 -0.765 . . . . 25.0 109.851 176.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.01 -38.98 93.36 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.218 0.822 . . . . 25.0 113.218 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.67 70.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 122.046 -0.409 . . . . 25.0 110.758 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 15.6 m -69.53 -17.07 63.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -98.44 -2.86 38.04 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.56 18.05 59.24 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 119.3 -0.722 . . . . 25.0 113.631 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.86 86.42 2.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 118.503 1.151 . . . . 25.0 108.249 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -83.74 169.62 15.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.26 125.54 22.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.604 0.716 . . . . 25.0 110.105 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.32 -14.26 59.64 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.095 -0.957 . . . . 25.0 114.014 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.82 154.55 41.73 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 118.217 1.008 . . . . 25.0 109.275 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -126.67 138.51 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.568 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.08 160.76 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.03 132.45 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 106.962 -1.496 . . . . 25.0 106.962 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tp -116.8 134.52 54.69 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -119.84 117.15 27.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 123.167 1.46 . . . . 25.0 110.947 -179.447 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 p80 . . . . . 0 C--O 1.237 0.431 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -133.86 172.05 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.08 128.2 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.25 149.3 42.0 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -104.24 140.87 37.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.23 126.34 72.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.03 108.4 19.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.8 t -97.63 116.37 29.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.953 0.406 . . . . 25.0 110.004 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.45 119.65 47.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-O 121.403 0.62 . . . . 25.0 112.204 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -97.77 136.8 37.58 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 105.369 -2.086 . . . . 25.0 105.369 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.29 -16.04 63.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.766 0.317 . . . . 25.0 111.767 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -92.12 25.24 2.95 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.879 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.7 mt 58.21 18.81 5.64 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 25.78 1.45 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.77 0.795 . . . . 25.0 110.122 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.42 153.17 41.56 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.897 -1.047 . . . . 25.0 112.172 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.87 158.49 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.647 -1.242 . . . . 25.0 107.647 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -133.95 149.21 51.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 174.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -154.73 170.54 21.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.405 -1.702 . . . . 25.0 106.405 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.4 m -129.33 147.98 51.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.028 -0.36 . . . . 25.0 110.028 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.6 mt -131.37 149.05 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -106.64 134.18 50.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 m -148.44 168.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -87.28 166.92 14.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 172.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.02 -35.28 76.47 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 122.173 -0.33 . . . . 25.0 111.141 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -90.44 4.38 51.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.507 0.67 . . . . 25.0 111.997 -176.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.15 132.9 54.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.445 -0.798 . . . . 25.0 109.833 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 3.4 mp0 -68.86 147.19 52.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 25.0 111.334 -176.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -34.3 77.33 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.963 -0.46 . . . . 25.0 110.21 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -61.41 -38.59 87.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.542 0.687 . . . . 25.0 109.81 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.31 -42.65 62.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.734 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -60.76 -43.3 98.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -67.39 -29.84 69.46 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.062 -0.655 . . . . 25.0 111.155 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.23 71.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mp -62.05 -44.84 95.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.33 -0.396 . . . . 25.0 110.828 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.3 p -73.94 -25.32 59.9 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 119.644 -0.822 . . . . 25.0 111.358 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -67.69 -44.53 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.91 -45.04 91.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.227 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -67.98 -41.51 82.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.097 0.475 . . . . 25.0 111.428 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.3 t -77.89 -22.22 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.11 32.75 77.18 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 114.509 0.564 . . . . 25.0 114.509 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 42.2 pt -125.13 150.6 67.37 Favored Pre-proline 0 C--O 1.216 -0.702 0 CA-C-N 117.415 0.607 . . . . 25.0 110.482 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -69.89 127.87 15.11 Favored 'Trans proline' 0 C--O 1.24 0.582 0 C-N-CA 115.959 -2.227 . . . . 25.0 112.326 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.33 67.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.046 -0.409 . . . . 25.0 111.173 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.11 69.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.948 0.404 . . . . 25.0 111.875 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -97.73 13.99 28.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.221 -0.445 . . . . 25.0 111.931 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.7 p -147.85 170.93 16.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -138.12 151.64 47.97 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.9 tt -118.13 131.55 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 121.452 0.644 . . . . 25.0 109.338 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.0 t -127.72 140.27 49.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.121 -0.945 . . . . 25.0 110.4 -169.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -140.8 138.44 34.06 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.34 42.17 28.84 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.251 0.548 . . . . 25.0 110.987 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 59.76 11.71 2.61 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.059 1.503 . . . . 25.0 115.059 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -118.19 139.88 27.28 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.664 -0.647 . . . . 25.0 110.481 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -70.71 143.31 45.92 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 115.819 -2.321 . . . . 25.0 111.792 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.63 65.87 9.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.873 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 31.8 p -73.11 -42.2 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -173.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -82.57 89.09 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.929 0.871 . . . . 25.0 110.201 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -72.89 -11.98 60.79 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -171.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -80.4 -6.84 58.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -173.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -90.74 157.49 17.39 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.378 -0.374 . . . . 25.0 110.777 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.7 p -79.79 163.0 24.78 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 173.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 48.0 mt -67.67 -30.27 69.76 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.541 0.686 . . . . 25.0 110.61 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.04 69.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.695 -0.684 . . . . 25.0 111.04 175.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 26.2 t -66.58 -25.85 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.554 0.216 . . . . 25.0 111.146 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.49 -4.06 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.284 0.564 . . . . 25.0 109.658 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 73.58 24.4 74.81 Favored Glycine 0 C--O 1.238 0.406 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.1 mt -73.33 83.37 1.41 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.09 0.471 . . . . 25.0 110.443 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -78.97 168.57 19.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.653 0.739 . . . . 25.0 112.542 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.57 129.39 40.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.141 -0.936 . . . . 25.0 110.192 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.18 -11.32 67.45 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.885 -1.052 . . . . 25.0 113.878 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.85 159.3 33.96 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 118.46 1.13 . . . . 25.0 111.037 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 18.2 t -122.83 134.56 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.653 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.37 154.12 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 65.9 mt -118.44 115.49 48.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.747 0.784 . . . . 25.0 109.104 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.8 124.61 36.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.311 -2.107 . . . . 25.0 105.311 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -114.45 112.22 22.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.173 0.511 . . . . 25.0 111.294 -173.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.211 -0.941 0 CA-C-O 123.723 1.725 . . . . 25.0 111.595 175.539 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 103.477 -2.786 . . . . 25.0 103.477 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.4 mtm -122.94 161.48 24.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 -178.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.7 tp -123.02 124.06 42.28 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 106.753 -1.573 . . . . 25.0 106.753 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -118.82 148.74 42.53 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -102.89 139.29 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 56.7 t -123.41 125.25 71.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.578 -1.268 . . . . 25.0 107.578 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 177.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.6 t -97.86 132.3 43.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 t -124.49 134.7 66.03 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.331 0.586 . . . . 25.0 112.292 -177.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -124.72 146.59 49.09 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 173.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -69.81 -16.89 63.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.53 15.41 4.58 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.048 -0.978 . . . . 25.0 111.047 179.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.9 mt 58.18 25.29 12.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.665 1.186 . . . . 25.0 113.855 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.67 25.91 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.248 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.33 147.56 46.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.673 -0.694 . . . . 25.0 112.301 -172.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.01 151.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 -174.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -131.63 143.69 50.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -152.91 172.26 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -177.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -130.63 149.53 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 -179.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.2 mt -132.84 143.55 49.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.086 -0.506 . . . . 25.0 110.791 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -90.98 129.31 37.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.64 162.61 26.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.495 -175.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.95 167.03 13.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 178.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.36 86.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.663 -178.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -95.52 15.59 19.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.355 0.598 . . . . 25.0 111.061 -175.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.09 131.47 48.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 176.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.25 149.66 47.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.27 -0.269 . . . . 25.0 110.66 -176.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -31.19 72.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 171.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -58.56 -42.36 87.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 25.0 111.883 175.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.98 -37.76 46.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.299 0.571 . . . . 25.0 109.736 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -61.71 -43.68 98.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -65.86 -29.61 70.09 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.756 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.07 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.254 0.55 . . . . 25.0 109.635 177.115 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.85 -43.5 98.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.247 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 11.0 p -73.9 -24.45 59.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.107 -0.637 . . . . 25.0 111.419 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -66.34 -40.88 90.12 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 177.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.56 -43.69 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.007 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -67.86 -39.11 83.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.077 0.465 . . . . 25.0 111.798 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.7 m -76.46 -26.34 55.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.444 -0.343 . . . . 25.0 111.668 -177.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.79 12.72 80.85 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.469 -0.396 . . . . 25.0 114.045 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.77 132.68 19.62 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 107.321 -1.363 . . . . 25.0 107.321 -176.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.04 131.03 43.46 Favored 'Trans proline' 0 C--N 1.352 0.729 0 N-CA-C 116.504 1.694 . . . . 25.0 116.504 -176.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.82 64.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.718 -1.128 . . . . 25.0 109.792 176.361 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.45 65.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 25.0 112.186 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -98.5 22.43 9.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.925 0.393 . . . . 25.0 110.575 -179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.4 p -142.86 178.47 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 -174.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -129.63 144.5 51.31 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 106.749 -1.575 . . . . 25.0 106.749 174.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -126.23 132.51 70.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 26.5 m -129.88 152.95 38.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 123.079 0.552 . . . . 25.0 109.862 -175.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -133.81 131.59 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.89 -1.893 . . . . 25.0 105.89 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.75 43.2 28.14 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.168 0.509 . . . . 25.0 110.568 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.47 16.06 7.22 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.066 1.876 . . . . 25.0 116.066 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -125.09 142.33 40.98 Favored Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.51 148.46 42.62 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 116.639 -1.774 . . . . 25.0 114.948 -173.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.93 67.77 3.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.15 -1.055 . . . . 25.0 108.15 178.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 12.6 p -72.32 -32.43 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -85.8 88.67 7.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.103 0.477 . . . . 25.0 110.422 -175.321 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -66.97 -16.45 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.881 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -72.0 -23.94 61.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.994 -0.548 . . . . 25.0 111.754 178.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -75.65 150.44 37.96 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.793 -0.567 . . . . 25.0 110.386 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 90.3 p -81.94 164.72 21.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.3 -1.37 . . . . 25.0 107.3 170.275 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.44 -35.21 80.18 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.385 0.612 . . . . 25.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.46 -30.13 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.716 177.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.7 m -71.42 -16.69 62.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.822 0.344 . . . . 25.0 111.671 177.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.06 -9.84 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.033 0.445 . . . . 25.0 110.096 174.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 21.67 63.95 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -176.381 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.81 86.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.973 0.892 . . . . 25.0 111.157 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.78 156.56 38.12 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 114.833 -1.076 . . . . 25.0 111.38 178.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -59.62 129.78 43.62 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 174.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.62 -15.05 58.87 Favored Glycine 0 C--O 1.23 -0.15 0 CA-C-N 115.607 -0.724 . . . . 25.0 113.571 -176.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -66.94 153.79 42.7 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 118.048 0.924 . . . . 25.0 110.987 178.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 20.6 t -116.38 133.47 62.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-N 115.379 -0.828 . . . . 25.0 109.795 -178.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.75 154.54 12.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 N-CA-C 106.614 -1.624 . . . . 25.0 106.614 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 81.2 mt -121.96 123.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -174.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.5 tt -109.72 127.39 54.57 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.184 -1.414 . . . . 25.0 107.184 179.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -108.18 106.45 16.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.42 0.629 . . . . 25.0 109.449 -178.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 124.155 1.931 . . . . 25.0 112.884 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 41.9 mtm -130.57 149.19 52.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 173.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.1 tp -111.82 130.2 55.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.199 -1.408 . . . . 25.0 107.199 175.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -124.12 144.76 49.7 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.0 m -94.22 139.57 30.87 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 178.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.0 t -125.12 130.26 73.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.59 113.0 22.1 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 177.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.0 m -103.17 116.58 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.903 0.382 . . . . 25.0 110.12 -177.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.07 114.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.057 0.456 . . . . 25.0 111.98 -177.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -84.61 147.18 27.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 169.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -68.7 -9.31 49.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.552 0.691 . . . . 25.0 110.207 175.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.83 17.31 13.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.869 1.268 . . . . 25.0 111.691 -177.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.4 mt 58.65 15.65 3.82 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.35 26.14 0.8 Allowed 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.047 0.939 . . . . 25.0 112.03 177.361 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -72.49 150.4 43.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.551 -0.75 . . . . 25.0 112.379 -166.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.07 158.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.867 -1.16 . . . . 25.0 107.867 -171.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -137.11 149.59 47.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 175.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -157.93 177.53 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 105.313 -2.106 . . . . 25.0 105.313 -177.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.9 p -127.21 149.86 49.8 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.4 mt -125.44 147.19 49.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -102.93 131.89 49.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 177.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.86 178.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -173.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -111.51 169.71 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.249 -1.389 . . . . 25.0 107.249 171.535 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.38 90.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.29 -0.1 56.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -176.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -60.49 128.98 39.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.245 0.545 . . . . 25.0 110.946 -177.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.06 150.46 47.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.308 -175.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.07 -29.18 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.574 -0.284 . . . . 25.0 111.032 175.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -61.65 -48.2 81.94 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.368 -0.605 . . . . 25.0 109.368 177.564 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -73.63 -30.03 62.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 25.0 110.685 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.72 -47.6 77.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.08 -0.388 . . . . 25.0 110.899 177.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -68.88 -27.97 66.27 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 119.678 -0.809 . . . . 25.0 110.087 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.72 90.26 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 176.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.25 -41.01 94.72 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 177.081 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.7 t -61.96 -44.76 96.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 25.0 111.098 178.275 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -35.8 82.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.396 -0.19 . . . . 25.0 111.295 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.609 -0.268 . . . . 25.0 110.396 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.12 -40.41 82.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.342 0.592 . . . . 25.0 110.849 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.0 t -79.35 -27.24 41.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.43 33.08 40.27 Favored Glycine 0 C--N 1.329 0.164 0 C-N-CA 121.064 -0.589 . . . . 25.0 113.24 176.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.8 pt -120.47 154.39 56.66 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.009 0.744 . . . . 25.0 113.009 -174.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.96 134.54 27.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 116.988 -1.541 . . . . 25.0 112.259 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.99 68.75 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.56 -27.38 66.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.692 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -97.04 6.41 48.64 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.325 -0.398 . . . . 25.0 111.891 -174.192 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.6 p -127.56 150.93 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.479 1.288 . . . . 25.0 114.479 -174.316 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -132.87 135.48 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 177.659 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -109.61 130.93 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 -174.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.0 136.68 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.311 0.644 . . . . 25.0 111.623 -170.118 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -130.46 135.43 47.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 175.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 48.44 42.04 17.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.282 0.633 . . . . 25.0 112.395 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.92 25.44 15.42 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.379 1.622 . . . . 25.0 115.379 -177.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -130.22 134.63 26.33 Favored Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 121.35 -0.844 . . . . 25.0 108.767 171.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.61 146.4 54.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 116.133 -2.111 . . . . 25.0 110.664 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.59 63.96 7.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.33 0.586 . . . . 25.0 109.791 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -71.07 -30.43 66.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -82.36 72.95 9.43 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 175.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -70.46 -12.89 61.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.347 -175.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.86 -5.95 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.873 0.368 . . . . 25.0 111.774 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -86.97 156.39 19.8 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.963 -0.755 . . . . 25.0 108.963 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 94.7 p -80.68 164.89 22.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.069 174.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.18 -39.48 92.82 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.176 0.512 . . . . 25.0 110.974 177.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.97 -30.18 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 25.0 111.463 176.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.0 m -70.12 -16.58 63.13 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -102.0 -8.99 21.02 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 175.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 88.03 20.54 49.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-O 119.503 -0.61 . . . . 25.0 113.942 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.4 84.76 1.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.242 1.021 . . . . 25.0 110.913 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.44 161.97 30.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.161 -0.927 . . . . 25.0 111.026 177.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.1 131.09 44.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 173.269 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.87 -8.98 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.96 -0.564 . . . . 25.0 114.007 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.45 167.42 21.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.783 0.792 . . . . 25.0 110.533 179.137 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.4 p -130.59 140.6 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.786 0.803 . . . . 25.0 113.096 -173.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.12 139.46 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.2 mt -112.79 127.36 70.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.915 . . . . 25.0 108.528 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -114.2 141.84 47.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 177.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -123.7 130.2 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 175.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 123.699 1.714 . . . . 25.0 111.064 179.716 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 69.2 m80 . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.5 mtm -133.0 166.75 21.68 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.8 -1.556 . . . . 25.0 106.8 175.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -126.47 130.15 50.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -122.42 145.9 47.86 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -100.03 138.85 36.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 178.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t -125.12 122.77 63.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -99.28 112.94 25.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 173.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.5 t -100.26 116.57 32.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -177.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.34 125.39 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -116.24 149.14 39.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 114.685 1.365 . . . . 25.0 114.685 -171.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.98 29.07 1.43 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -175.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt 58.77 25.38 13.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.508 1.123 . . . . 25.0 112.224 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.93 25.97 1.05 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.903 -1.044 . . . . 25.0 111.435 179.268 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.4 151.69 42.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 25.0 112.807 -170.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.78 161.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.582 -1.636 . . . . 25.0 106.582 -173.335 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -129.8 145.4 51.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 174.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -154.72 176.54 12.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -176.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.5 m -131.5 151.15 51.81 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.0 148.41 49.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.421 0.451 . . . . 25.0 110.446 -177.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -98.25 128.76 44.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 176.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.67 171.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 -172.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -98.84 165.92 11.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 173.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.84 83.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.673 -0.642 . . . . 25.0 110.631 174.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -89.98 4.37 50.32 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.663 0.744 . . . . 25.0 111.893 -176.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -59.8 131.05 49.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.1 152.68 42.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 -177.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -30.72 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 172.444 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.857 173.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -75.3 -33.27 61.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.316 0.579 . . . . 25.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -63.22 -45.01 93.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.071 -0.393 . . . . 25.0 112.027 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -28.02 66.13 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 119.868 -0.733 . . . . 25.0 110.863 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.15 69.82 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.207 0.527 . . . . 25.0 109.819 176.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 tp -63.4 -41.67 98.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.527 0.679 . . . . 25.0 109.484 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.38 -39.39 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.629 177.056 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.92 -43.63 98.33 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.687 0.395 . . . . 25.0 110.05 179.131 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.12 -47.44 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.634 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.74 -37.11 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.356 0.598 . . . . 25.0 112.296 -177.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 38.1 m -80.74 -22.77 39.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.078 0.399 . . . . 25.0 112.078 -177.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.14 17.85 79.14 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 121.063 -0.589 . . . . 25.0 112.79 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -136.57 144.37 46.97 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -63.8 130.14 26.89 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 116.512 -1.859 . . . . 25.0 113.336 -179.436 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.65 -24.62 67.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.49 67.85 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.863 -0.608 . . . . 25.0 112.209 178.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -99.04 14.1 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.085 0.469 . . . . 25.0 110.895 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -138.88 164.58 29.3 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -175.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.74 129.44 56.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.777 -1.194 . . . . 25.0 107.777 175.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 12.7 tt -107.54 132.68 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.5 t -127.84 138.21 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.343 -0.844 . . . . 25.0 110.746 -169.205 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -135.89 134.56 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 176.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.98 44.29 28.56 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.213 0.53 . . . . 25.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 59.97 9.71 1.88 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.279 1.585 . . . . 25.0 115.279 -178.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -117.17 134.55 23.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 121.802 -0.561 . . . . 25.0 110.441 178.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 148.27 74.3 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 115.289 -2.674 . . . . 25.0 112.186 178.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.84 112.54 24.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 56.1 p -111.6 -26.32 9.09 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.536 1.31 . . . . 25.0 114.536 -174.056 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.73 95.13 9.71 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -177.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -67.07 -29.09 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -177.114 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.97 -10.02 59.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.276 0.56 . . . . 25.0 112.168 -177.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -72.78 142.63 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 86.5 p -79.46 166.89 21.52 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.826 -1.176 . . . . 25.0 107.826 172.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.22 -39.77 93.92 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.095 -0.378 . . . . 25.0 110.021 178.249 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.2 69.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.4 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.6 m -71.13 -18.37 62.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -96.78 -10.58 26.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.214 -0.291 . . . . 25.0 110.214 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.43 20.82 63.47 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -174.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.67 77.21 4.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.941 0.877 . . . . 25.0 110.031 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -71.64 166.93 20.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.007 -1.451 . . . . 25.0 112.666 -178.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -59.25 131.36 50.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.366 -0.834 . . . . 25.0 108.926 172.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.16 70.48 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.203 -0.908 . . . . 25.0 113.079 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.24 167.22 20.57 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.418 1.109 . . . . 25.0 111.49 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.33 142.11 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -172.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 162.65 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 176.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 122.41 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -104.61 133.93 48.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 177.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -127.02 115.89 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 25.0 111.206 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 125.235 2.445 . . . . 25.0 110.501 176.234 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 . . . . . 0 N--CA 1.443 -0.79 0 N-CA-C 104.468 -2.419 . . . . 25.0 104.468 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -125.95 167.02 15.85 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.255 -0.276 . . . . 25.0 110.255 -176.47 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.7 tp -112.6 133.53 54.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.028 -177.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.89 145.43 48.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 174.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.2 m -99.04 140.41 33.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.04 130.17 73.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 -178.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.03 114.22 25.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.1 t -97.5 130.91 44.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.9 t -119.16 131.96 70.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.173 0.511 . . . . 25.0 111.518 -177.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -113.5 152.42 30.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.209 -1.404 . . . . 25.0 107.209 172.458 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -20.39 66.2 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.046 0.45 . . . . 25.0 110.82 174.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -91.1 16.99 8.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.323 -0.853 . . . . 25.0 111.723 -177.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.3 mt 54.49 26.82 7.56 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 179.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.63 25.57 1.23 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.91 0.884 . . . . 25.0 110.093 176.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.64 149.07 44.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 25.0 112.131 -169.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.08 157.85 5.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 107.345 -1.354 . . . . 25.0 107.345 -172.049 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -134.82 149.37 50.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 175.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -157.05 175.73 13.69 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.298 -2.112 . . . . 25.0 105.298 -176.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.19 152.11 49.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 178.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.2 mt -128.91 147.65 50.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.097 -177.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -99.53 129.32 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.956 -1.498 . . . . 25.0 106.956 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.73 156.27 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 -174.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.08 163.57 20.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 176.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.48 91.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.27 0.557 . . . . 25.0 109.938 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -92.71 11.78 25.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.543 0.687 . . . . 25.0 112.318 -177.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -64.6 138.33 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.82 144.76 55.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.794 0.294 . . . . 25.0 111.794 -177.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.31 -34.6 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 172.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -56.54 -48.32 77.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.419 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.23 -30.81 54.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.478 -0.328 . . . . 25.0 110.753 -177.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.12 -50.35 72.26 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.064 -0.397 . . . . 25.0 110.471 177.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -66.48 -31.69 72.58 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 119.78 -0.768 . . . . 25.0 110.155 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.83 98.63 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.206 0.457 . . . . 25.0 109.86 178.273 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.18 -37.25 80.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 176.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.618 -0.512 . . . . 25.0 109.618 176.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -30.99 69.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.881 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.69 -47.29 75.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.681 0.277 . . . . 25.0 110.603 178.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -73.0 -34.35 66.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 25.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 72.1 p -83.02 -30.86 27.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -178.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.2 30.78 40.56 Favored Glycine 0 CA--C 1.513 -0.044 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.913 173.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -114.43 152.76 46.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 122.531 -0.394 . . . . 25.0 110.582 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.76 130.18 25.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 117.037 -1.509 . . . . 25.0 112.88 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -178.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.91 58.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 -178.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -120.58 22.95 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 25.0 111.104 -173.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.9 t -144.95 159.22 43.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.849 0.356 . . . . 25.0 111.128 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -132.91 152.64 51.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 173.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.1 tt -115.41 133.35 61.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 -178.05 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -122.97 135.11 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.516 -0.766 . . . . 25.0 110.875 -170.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -137.94 137.59 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.796 -1.187 . . . . 25.0 107.796 178.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.11 41.17 27.26 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.192 0.52 . . . . 25.0 110.753 -176.434 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.9 12.74 3.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.385 1.624 . . . . 25.0 115.385 -178.212 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -119.3 141.33 30.41 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 178.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.11 147.62 48.87 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 115.505 -2.53 . . . . 25.0 111.535 178.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.21 110.91 22.3 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 176.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 66.9 p -106.94 -34.83 7.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -173.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -81.99 98.79 8.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.791 0.805 . . . . 25.0 109.276 -175.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.31 -25.82 67.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.006 -176.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.6 -0.45 42.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 -175.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -91.45 151.51 20.77 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.5 p -83.85 167.1 17.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.593 -0.892 . . . . 25.0 108.593 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 71.7 mt -68.41 -32.86 73.2 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.988 -0.445 . . . . 25.0 111.034 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.509 174.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 43.7 m -70.78 -16.54 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 178.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -100.79 -7.26 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 176.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.57 22.07 70.78 Favored Glycine 0 C--O 1.239 0.465 0 C-N-CA 121.112 -0.566 . . . . 25.0 111.88 -176.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.93 81.41 1.67 Allowed 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.414 0.626 . . . . 25.0 110.561 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -74.32 164.0 27.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.808 -177.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.47 126.59 22.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.703 -0.681 . . . . 25.0 110.475 173.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.13 -10.07 65.54 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 119.53 -0.595 . . . . 25.0 114.584 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -70.69 160.07 33.3 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 118.294 1.047 . . . . 25.0 109.665 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.96 141.09 47.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 115.833 -0.621 . . . . 25.0 110.207 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.9 160.49 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.886 -1.153 . . . . 25.0 107.886 177.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.57 113.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.292 0.567 . . . . 25.0 109.473 -177.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.18 127.48 35.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 178.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.26 110.64 12.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.953 -0.467 . . . . 25.0 111.911 -173.225 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 125.415 2.531 . . . . 25.0 110.775 174.961 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 . . . . . 0 C--O 1.234 0.273 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -136.14 160.6 38.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 178.201 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.7 tp -115.26 122.96 47.57 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -177.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -112.03 152.8 27.74 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.333 -0.988 . . . . 25.0 108.333 177.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -107.93 134.87 50.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 177.28 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.39 126.41 71.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 -178.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -112.15 112.25 23.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -97.63 133.55 42.02 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.743 -0.465 . . . . 25.0 109.743 -177.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.06 132.66 70.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -175.422 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -120.87 151.33 39.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 171.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -70.14 -23.55 63.02 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.077 0.465 . . . . 25.0 111.693 -177.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.47 18.67 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.705 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 mt 59.14 29.5 19.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.458 1.103 . . . . 25.0 112.221 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 m -88.81 25.23 1.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.25 -0.886 . . . . 25.0 109.276 175.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.38 150.01 43.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.827 -1.079 . . . . 25.0 111.309 -174.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.78 151.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.08 -1.081 . . . . 25.0 108.08 -174.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.8 t -128.37 146.23 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 177.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -155.41 174.19 15.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.634 -1.617 . . . . 25.0 106.634 -176.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m -129.99 151.88 50.06 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.279 -0.267 . . . . 25.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.4 mt -131.18 141.84 50.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 25.0 111.884 -176.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -97.57 115.77 28.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.972 -1.013 . . . . 25.0 108.42 177.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.8 163.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -177.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -90.18 169.28 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 175.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.24 76.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.233 0.539 . . . . 25.0 111.63 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.26 3.1 53.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.755 -176.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -55.18 133.55 49.15 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.134 0.492 . . . . 25.0 111.678 -177.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.43 144.45 54.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.008 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -27.12 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 25.0 110.959 172.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -66.95 -44.34 80.82 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 120.895 0.378 . . . . 25.0 110.018 179.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.05 -32.41 59.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.732 0.301 . . . . 25.0 110.768 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.04 -45.81 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.707 0.632 . . . . 25.0 112.707 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.31 -28.05 68.38 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.18 -0.608 . . . . 25.0 110.542 -179.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.54 66.07 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 176.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -37.92 89.24 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.352 0.596 . . . . 25.0 109.785 176.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 74.5 m -66.4 -37.1 84.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 25.0 110.909 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 178.138 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.6 -45.03 95.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.624 0.602 . . . . 25.0 112.624 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -70.06 -32.97 71.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 25.0 111.786 -178.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.0 p -92.2 -15.61 27.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -175.317 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.56 33.11 75.85 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 114.448 0.539 . . . . 25.0 114.448 177.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 24.9 pt -110.71 156.23 40.94 Favored Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 -174.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -70.4 121.08 7.65 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 115.835 -2.31 . . . . 25.0 110.755 172.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.2 -36.8 76.0 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.819 -0.551 . . . . 25.0 112.171 -178.471 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.59 -24.7 67.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -177.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.95 15.62 28.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.76 0.314 . . . . 25.0 111.296 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.3 p -132.73 158.06 43.32 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -175.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -135.38 151.61 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.423 -0.808 . . . . 25.0 109.48 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -127.9 135.81 61.97 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-O 121.233 0.54 . . . . 25.0 110.396 -175.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.3 153.12 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.855 -0.612 . . . . 25.0 110.617 -176.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -140.66 137.52 33.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 178.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 37.8 23.95 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.389 0.614 . . . . 25.0 110.064 -174.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 58.14 22.64 9.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.478 1.288 . . . . 25.0 114.478 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -125.04 145.58 50.79 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 179.043 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.22 146.87 52.37 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 116.951 -1.566 . . . . 25.0 114.798 -175.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.6 mt -103.25 96.76 6.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.185 -0.916 . . . . 25.0 108.621 178.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 39.2 p -112.3 -43.1 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.596 1.702 . . . . 25.0 115.596 -174.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.5 113.72 3.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 -168.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -73.82 -7.46 52.3 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 170.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -82.45 3.54 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 48.9 mtt85 -128.67 143.64 50.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.484 0.659 . . . . 25.0 112.59 -178.091 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 67.1 p -88.16 169.65 11.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 171.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.43 -35.76 81.1 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-O 121.317 0.579 . . . . 25.0 110.862 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.82 69.41 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 121.953 -0.467 . . . . 25.0 111.516 175.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.6 t -70.05 -17.62 63.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -95.78 -7.67 36.5 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 175.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.55 21.35 62.2 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.196 -0.762 . . . . 25.0 111.196 -175.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.55 85.7 0.87 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.331 0.565 . . . . 25.0 109.532 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.15 165.34 19.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.634 -0.712 . . . . 25.0 111.945 -178.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.03 126.8 27.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.906 -0.776 . . . . 25.0 108.906 174.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.74 -12.03 59.36 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.217 -0.902 . . . . 25.0 114.521 -179.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.45 150.46 48.9 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 118.42 1.11 . . . . 25.0 111.46 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.01 125.29 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 25.0 110.003 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.6 t -107.07 140.81 23.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 106.386 -1.709 . . . . 25.0 106.386 179.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.8 mt -111.95 130.03 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 -178.088 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.14 134.53 55.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 -179.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -123.61 127.95 48.99 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 179.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.812 0 CA-C-O 123.39 1.567 . . . . 25.0 109.595 176.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 122' ' ' ASP . 25.9 p80 . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 106.863 -1.532 . . . . 25.0 106.863 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -130.07 179.95 5.58 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 106.527 -1.656 . . . . 25.0 106.527 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.32 130.38 53.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 117.949 0.341 . . . . 25.0 111.225 -177.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.82 156.08 40.11 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 176.195 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.8 m -109.05 142.29 39.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 177.083 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.15 125.83 69.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -106.95 111.55 24.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 175.641 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.45 128.82 44.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.51 124.39 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.76 0.314 . . . . 25.0 110.814 -178.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.531 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 42.3 mtp180 -116.23 146.32 42.44 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 176.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -65.1 -14.54 60.76 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.069 0.461 . . . . 25.0 111.647 177.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.38 15.95 3.36 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 124.16 0.984 . . . . 25.0 112.667 -176.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.8 mt 56.05 25.71 9.2 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.331 1.052 . . . . 25.0 112.155 -176.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 18.4 m -99.36 25.87 6.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.966 -1.015 . . . . 25.0 109.203 -179.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -72.32 145.33 47.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.842 -174.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.19 150.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 -171.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -125.14 143.61 50.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 176.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.86 170.84 19.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 -176.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.8 m -126.09 149.27 49.02 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 mt -129.41 144.78 51.39 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.982 -176.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -96.19 124.99 40.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 173.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.57 155.36 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 -175.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 100' ' ' HIS . 2.7 t70 -79.49 165.2 23.27 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.976 -0.69 . . . . 25.0 110.09 178.538 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.84 92.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.153 0.502 . . . . 25.0 109.939 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.38 14.56 25.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.23 0.538 . . . . 25.0 112.045 -176.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.87 128.49 37.13 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.86 152.56 37.18 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -175.263 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.64 -29.59 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.93 -0.481 . . . . 25.0 110.67 176.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -57.62 -48.29 79.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 176.301 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -69.57 -37.69 77.09 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.396 -0.82 . . . . 25.0 111.371 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -66.6 -36.89 83.71 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.117 0.484 . . . . 25.0 110.147 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.9 88.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.601 177.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.52 0.676 . . . . 25.0 110.463 178.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.54 -37.19 86.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 25.0 111.152 175.305 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.322 -0.622 . . . . 25.0 109.322 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 42.9 tp -60.46 -46.02 91.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 25.0 112.345 -177.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -73.81 -40.43 63.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -178.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.3 t -85.31 -18.32 34.21 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -173.536 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.05 29.19 74.23 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.369 -0.443 . . . . 25.0 113.888 -179.4 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -129.57 142.48 45.42 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 122.25 -0.559 . . . . 25.0 111.168 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.44 119.26 6.26 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 116.73 -1.713 . . . . 25.0 112.572 177.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.87 67.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.38 73.99 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -88.17 13.91 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.039 0.447 . . . . 25.0 110.94 -177.817 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.4 m -137.31 159.2 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -173.592 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 141.85 48.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 175.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -117.06 138.51 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -177.018 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.0 p -141.54 144.39 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.412 0.685 . . . . 25.0 109.919 -173.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -148.12 137.25 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.971 -1.492 . . . . 25.0 106.971 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.33 42.68 26.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.98 0.419 . . . . 25.0 110.689 -176.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 59.88 9.72 1.83 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 -179.03 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -116.93 141.57 28.51 Favored Pre-proline 0 N--CA 1.467 0.406 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.265 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.44 152.05 60.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 116.236 -2.042 . . . . 25.0 113.177 -176.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.5 mt -108.93 49.62 0.81 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.003 -1.11 . . . . 25.0 108.003 177.502 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -94.59 -11.66 29.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.46 -0.791 . . . . 25.0 112.307 -176.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.73 85.83 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.734 0.778 . . . . 25.0 108.938 178.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -62.71 -12.99 27.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 115.308 1.596 . . . . 25.0 115.308 -172.141 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -85.81 8.54 19.63 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.793 1.405 . . . . 25.0 114.793 -174.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -120.49 151.54 39.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.832 -0.542 . . . . 25.0 110.968 -179.056 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.4 p -85.11 163.21 18.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.41 0.444 . . . . 25.0 110.411 177.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.06 -32.96 73.66 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 121.515 0.674 . . . . 25.0 112.209 -175.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -30.06 70.18 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.545 174.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.1 m -68.5 -16.51 63.91 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -100.41 -4.56 28.73 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 177.025 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.08 59.1 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.43 -1.068 . . . . 25.0 110.43 -176.097 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.42 85.41 1.5 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.721 0.772 . . . . 25.0 109.878 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.57 160.86 30.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.625 -1.171 . . . . 25.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.41 128.63 38.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.715 -0.846 . . . . 25.0 108.715 173.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.18 -10.54 63.63 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.506 -0.77 . . . . 25.0 114.217 -178.278 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -70.71 153.66 42.59 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 118.357 1.078 . . . . 25.0 109.35 176.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.83 137.66 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 25.0 109.77 -178.448 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.24 161.19 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.5 mt -123.93 133.15 70.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 -178.324 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.7 tt -119.65 134.62 55.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 176.38 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -126.16 128.46 47.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.113 0.483 . . . . 25.0 110.68 -179.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 125.666 2.65 . . . . 25.0 110.849 177.596 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 p80 . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 104.345 -2.465 . . . . 25.0 104.345 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -123.73 -180.0 4.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -131.68 130.55 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 -177.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -122.95 147.73 46.28 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 37.9 m -100.27 144.21 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.2 t -125.04 129.28 73.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 179.195 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -113.72 106.89 15.03 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.207 -1.034 . . . . 25.0 108.207 176.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 t -96.33 128.08 42.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.63 131.59 70.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.757 0 CA-C-O 121.594 0.711 . . . . 25.0 111.591 -175.042 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -122.62 143.75 49.56 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 173.133 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -66.52 -12.94 60.06 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.376 0.509 . . . . 25.0 112.376 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.02 19.2 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.911 -178.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt 54.58 28.78 10.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.677 1.191 . . . . 25.0 112.435 -178.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.56 24.88 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.443 174.514 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.15 147.84 46.24 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.415 -174.071 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.81 149.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 107.054 -1.461 . . . . 25.0 107.054 -174.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -132.19 144.5 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.306 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -155.38 175.33 14.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 -174.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -129.41 154.3 47.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.983 0.356 . . . . 25.0 110.052 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.7 mt -128.67 144.02 51.07 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.003 0.43 . . . . 25.0 111.575 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -90.89 126.82 36.16 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.928 -1.508 . . . . 25.0 106.928 176.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.42 161.43 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 -174.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -90.92 171.31 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 176.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.29 68.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.579 0.704 . . . . 25.0 110.771 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -87.35 1.66 52.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.881 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.51 130.05 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.75 151.92 43.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.618 0.247 . . . . 25.0 111.058 -177.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.0 -31.39 72.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.25 0.548 . . . . 25.0 109.961 172.006 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -60.1 -42.17 94.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 25.0 110.523 178.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -78.14 -35.23 49.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.823 0.82 . . . . 25.0 110.175 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.98 -45.15 95.94 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.901 -0.499 . . . . 25.0 111.928 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -68.58 -24.97 64.66 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.217 -0.593 . . . . 25.0 112.074 178.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.83 69.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 176.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.09 -43.3 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.79 -0.569 . . . . 25.0 111.629 177.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -70.92 -25.78 62.91 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.206 -0.998 . . . . 25.0 111.388 -178.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.39 -49.73 65.84 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 175.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.72 -47.02 87.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.504 -0.771 . . . . 25.0 111.992 -178.452 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -69.45 -38.12 77.65 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -177.169 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.2 t -89.22 -16.06 32.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.654 0.983 . . . . 25.0 113.654 -176.311 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.58 31.74 77.06 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.282 -0.485 . . . . 25.0 113.9 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 pp -124.84 135.18 26.39 Favored Pre-proline 0 N--CA 1.468 0.463 0 O-C-N 122.372 -0.487 . . . . 25.0 110.519 -179.418 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.04 129.7 29.73 Favored 'Trans proline' 0 C--O 1.241 0.634 0 C-N-CA 116.82 -1.653 . . . . 25.0 114.268 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.43 -27.6 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.528 . . . . 25.0 111.743 179.086 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -178.688 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -101.79 9.48 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 -174.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 m -136.97 152.49 50.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -173.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -116.34 148.32 40.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.113 -0.494 . . . . 25.0 109.785 -178.654 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.467 HG12 HD12 ' A' ' 154' ' ' LEU . 19.1 tt -126.2 136.58 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.304 0.573 . . . . 25.0 110.829 -176.197 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.9 p -141.7 144.79 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-N 115.782 -0.645 . . . . 25.0 109.577 -173.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -142.62 138.56 30.8 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 179.028 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.15 39.88 24.54 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.691 0.758 . . . . 25.0 111.433 -178.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 57.41 20.95 6.39 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.677 -1.147 . . . . 25.0 113.962 -178.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -125.11 143.6 44.7 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 175.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.43 146.33 49.92 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 116.582 -1.812 . . . . 25.0 113.015 -176.191 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.467 HD12 HG12 ' A' ' 147' ' ' ILE . 48.1 mt -96.49 64.13 2.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 177.015 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.6 p -96.59 -22.57 16.97 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 115.557 1.688 . . . . 25.0 115.557 -173.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.73 76.16 10.24 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 -177.64 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.21 -11.3 20.09 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 115.159 1.54 . . . . 25.0 115.159 -171.293 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.27 -7.19 58.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -94.59 152.84 18.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.956 -0.465 . . . . 25.0 111.295 -178.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 80.7 p -79.98 161.58 25.39 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 174.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 45.6 mt -65.15 -34.9 79.5 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 121.123 0.487 . . . . 25.0 110.983 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.43 68.74 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.375 175.225 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.1 m -70.32 -16.71 63.03 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -99.08 -3.63 34.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.951 0.405 . . . . 25.0 110.018 176.338 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 75.9 25.48 66.86 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.511 -1.036 . . . . 25.0 110.511 -175.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.2 86.28 3.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -81.6 166.81 19.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.16 -0.927 . . . . 25.0 110.506 179.015 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.96 127.9 34.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.829 -0.623 . . . . 25.0 110.711 178.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.4 -14.57 62.09 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.331 -0.85 . . . . 25.0 113.059 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -67.43 148.72 51.2 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 118.036 0.918 . . . . 25.0 109.383 178.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -120.05 134.92 62.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.836 -175.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 14.9 m -110.51 159.01 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.4 mt -118.38 131.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -178.709 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.6 tt -117.07 132.53 56.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.23 125.44 41.0 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.091 -0.381 . . . . 25.0 110.245 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 124.193 1.949 . . . . 25.0 111.036 177.188 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 106.109 -1.811 . . . . 25.0 106.109 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -129.76 172.08 12.01 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -121.86 134.03 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.7 mt -122.37 152.0 40.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.767 -1.197 . . . . 25.0 107.767 176.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 m -103.37 135.82 44.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 176.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.36 122.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -107.78 113.0 25.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.506 -0.77 . . . . 25.0 109.093 -179.096 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.6 125.36 42.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.96 128.44 74.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-O 121.231 0.539 . . . . 25.0 110.842 -176.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -114.7 147.12 40.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 105.653 -1.98 . . . . 25.0 105.653 172.248 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -59.15 -29.21 67.26 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.124 0.786 . . . . 25.0 113.124 -175.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.94 22.24 1.74 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.668 -0.697 . . . . 25.0 112.714 -176.349 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt 55.33 34.09 22.13 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.463 1.105 . . . . 25.0 112.108 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 m -92.8 26.08 2.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.381 -1.281 . . . . 25.0 108.904 176.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.51 151.98 42.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.44 -1.254 . . . . 25.0 112.843 -170.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -149.55 150.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -176.144 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 t -128.42 144.18 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 177.081 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -153.04 174.26 14.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.297 -1.742 . . . . 25.0 106.297 -176.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -128.8 150.8 50.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.39 143.68 50.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.131 -0.486 . . . . 25.0 110.417 -178.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -103.95 125.05 50.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 178.407 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.85 164.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 -172.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -80.3 159.04 25.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 174.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.72 88.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 176.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -93.15 15.51 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.608 0.718 . . . . 25.0 112.306 -176.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.54 136.68 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 178.189 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.25 142.8 56.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.147 -0.345 . . . . 25.0 110.584 -178.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.8 -29.79 70.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.095 -1.076 . . . . 25.0 108.095 172.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.19 -48.32 79.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.489 175.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.23 -31.42 58.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.877 -0.329 . . . . 25.0 110.366 178.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.68 -42.87 99.85 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -65.67 -31.83 73.06 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 119.843 -0.743 . . . . 25.0 110.659 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.0 -37.06 67.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.435 0.636 . . . . 25.0 109.912 177.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.84 -37.16 86.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.148 0.499 . . . . 25.0 110.117 178.472 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.27 -35.23 75.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.823 0.344 . . . . 25.0 110.628 176.311 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -37.26 86.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.954 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.96 -49.81 73.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.395 . . . . 25.0 110.579 178.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.29 -40.12 81.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.085 0.469 . . . . 25.0 112.146 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.0 t -84.89 -15.57 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.325 0.861 . . . . 25.0 113.325 -174.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.21 30.49 67.27 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.153 -0.546 . . . . 25.0 114.289 176.321 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.8 pt -135.44 147.05 60.27 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 -178.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.94 135.91 46.27 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 116.722 -1.719 . . . . 25.0 114.519 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.53 -29.26 70.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.367 0.603 . . . . 25.0 109.686 175.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.22 65.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.276 -179.343 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -102.64 11.36 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.893 0.331 . . . . 25.0 111.893 -176.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.5 p -130.25 157.79 41.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.613 0.721 . . . . 25.0 112.0 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -117.24 131.09 56.91 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.57 129.46 68.11 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.612 -0.722 . . . . 25.0 109.506 -176.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 66.3 t -132.76 138.71 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.811 0.844 . . . . 25.0 110.614 -169.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -139.38 140.11 37.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.128 -1.064 . . . . 25.0 108.128 176.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 42.95 24.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.219 0.608 . . . . 25.0 111.502 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 60.77 18.71 8.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.761 1.763 . . . . 25.0 115.761 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -130.25 140.09 37.61 Favored Pre-proline 0 N--CA 1.473 0.72 0 O-C-N 121.14 -0.975 . . . . 25.0 109.436 174.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.05 146.16 57.58 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 116.071 -2.152 . . . . 25.0 110.976 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.63 74.08 9.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 37.1 p -72.29 -35.69 68.75 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -174.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -82.69 98.79 9.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.393 0.616 . . . . 25.0 109.906 -173.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -70.85 -24.54 62.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.744 -178.129 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -73.0 -18.9 61.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.68 148.05 38.97 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -84.27 168.32 15.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 170.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.25 -35.37 80.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.918 -0.489 . . . . 25.0 110.8 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.25 71.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.826 175.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.9 m -70.69 -16.47 62.8 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.089 0.403 . . . . 25.0 112.089 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.16 -9.38 27.97 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 174.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.56 26.62 56.44 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.967 -0.853 . . . . 25.0 110.967 -175.208 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.69 82.05 2.66 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 121.695 0.759 . . . . 25.0 110.432 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -69.44 160.55 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.738 -1.119 . . . . 25.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -57.42 129.23 40.87 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.071 -0.968 . . . . 25.0 110.116 174.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.72 -9.89 73.04 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.045 -0.98 . . . . 25.0 113.702 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 162.26 28.68 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 118.336 1.068 . . . . 25.0 111.67 -179.462 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.37 130.63 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 -171.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.9 t -107.48 137.49 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 177.103 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.8 mt -109.26 126.73 66.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 179.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.7 tt -118.15 133.34 55.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.151 -1.425 . . . . 25.0 107.151 -178.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -119.25 132.56 55.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.196 0.522 . . . . 25.0 111.805 -178.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 114.881 -1.054 . . . . 25.0 108.655 173.573 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.49 0 N-CA-C 102.308 -3.219 . . . . 25.0 102.308 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -142.72 168.93 18.55 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -176.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.05 130.64 53.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -178.331 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -121.06 148.77 43.7 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 177.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -99.53 143.38 29.83 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.836 -1.172 . . . . 25.0 107.836 178.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -125.11 129.46 73.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -119.49 110.85 17.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.3 m -97.56 124.22 41.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -114.18 132.74 62.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.066 0.46 . . . . 25.0 111.722 -174.317 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -116.86 145.63 43.44 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 105.612 -1.996 . . . . 25.0 105.612 170.209 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.89 -9.15 57.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.149 0.5 . . . . 25.0 110.581 176.381 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -99.7 25.23 7.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.952 -173.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.82 38.57 26.98 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 25.0 113.539 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.65 23.53 14.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.224 -178.716 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -72.18 153.21 41.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.797 0.808 . . . . 25.0 113.153 -171.157 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.8 152.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.633 -1.617 . . . . 25.0 106.633 -177.726 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -139.19 148.16 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.641 -1.244 . . . . 25.0 107.641 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -157.73 177.64 11.15 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.872 -1.899 . . . . 25.0 105.872 -176.389 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.3 m -129.39 151.07 50.43 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 179.109 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.1 mt -124.81 146.44 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.405 0.441 . . . . 25.0 109.996 -177.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.51 124.14 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 178.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.1 m -144.19 165.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.147 -0.479 . . . . 25.0 111.01 -171.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.546 -0.909 . . . . 25.0 108.546 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.05 80.59 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.87 -0.519 . . . . 25.0 109.986 175.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -94.33 13.46 23.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.507 0.67 . . . . 25.0 112.076 -176.676 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -63.73 129.55 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 178.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.25 148.15 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.655 -177.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 154' ' ' LEU . 1.1 mm? -65.2 -31.36 72.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.643 -0.423 . . . . 25.0 110.621 175.387 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.23 -48.29 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 177.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.37 -31.56 65.69 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.44 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.1 -43.47 95.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.78 -0.575 . . . . 25.0 112.089 177.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -68.09 -36.17 79.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.188 0.518 . . . . 25.0 109.73 179.181 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.6 94.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.995 -1.002 . . . . 25.0 110.573 176.122 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.88 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.554 0.692 . . . . 25.0 109.726 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 45.9 t -62.57 -42.84 99.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.927 176.051 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.92 -42.1 98.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.32 -48.17 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.452 . . . . 25.0 111.987 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -30.52 59.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -176.825 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.0 p -87.42 -26.23 23.39 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -176.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.68 10.7 83.17 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.767 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.32 141.02 26.53 Favored Pre-proline 0 N--CA 1.47 0.541 0 CA-C-N 117.746 0.773 . . . . 25.0 109.233 178.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.5 127.74 22.69 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 115.289 1.226 . . . . 25.0 115.289 -175.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.63 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 174.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.07 68.99 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.015 -0.539 . . . . 25.0 111.635 178.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -101.23 12.23 37.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.539 -0.3 . . . . 25.0 110.514 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.1 m -129.68 160.18 34.16 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -171.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -133.49 153.52 51.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.8 tt -128.06 137.8 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-O 120.971 0.415 . . . . 25.0 110.376 -174.035 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.77 146.12 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.278 0.631 . . . . 25.0 109.595 -173.453 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -147.51 139.89 24.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 179.457 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.41 41.61 25.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.264 0.554 . . . . 25.0 110.655 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 60.16 13.96 4.2 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.967 1.469 . . . . 25.0 114.967 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -126.62 143.74 47.38 Favored Pre-proline 0 N--CA 1.472 0.633 0 O-C-N 121.78 -0.575 . . . . 25.0 110.25 178.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.09 152.28 45.44 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 115.802 -2.332 . . . . 25.0 112.967 -176.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 127' ' ' LEU . 53.6 mt -93.48 61.28 3.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 176.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -39.18 70.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -172.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -79.74 95.76 6.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 -175.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -70.52 -20.08 62.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.194 -0.912 . . . . 25.0 112.855 -174.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -83.01 -4.52 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 -177.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.21 149.22 25.24 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.3 m -79.58 164.83 23.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.77 -0.456 . . . . 25.0 109.77 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.95 -38.96 87.73 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.309 0.576 . . . . 25.0 111.032 177.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.68 -30.13 67.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.884 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.5 t -70.97 -17.41 62.66 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.201 0.445 . . . . 25.0 112.201 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -100.28 -5.41 27.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 175.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.24 17.43 71.71 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.504 -0.638 . . . . 25.0 111.504 -176.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 18.4 mt -74.21 84.18 1.86 Allowed 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.203 0.525 . . . . 25.0 110.169 -178.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.31 170.46 10.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.25 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.23 125.85 22.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 25.0 110.397 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 106.31 -17.71 40.01 Favored Glycine 0 CA--C 1.517 0.192 0 CA-C-N 115.171 -0.922 . . . . 25.0 113.563 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.07 156.79 38.06 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 117.754 0.777 . . . . 25.0 110.44 177.341 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.82 135.47 62.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.447 -0.797 . . . . 25.0 109.634 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.96 158.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 107.601 -1.259 . . . . 25.0 107.601 177.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.46 129.58 75.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.396 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.41 139.66 49.31 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.806 -1.553 . . . . 25.0 106.806 177.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -122.15 127.25 49.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 176.258 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 124.114 1.912 . . . . 25.0 109.183 173.578 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 105.71 -1.959 . . . . 25.0 105.71 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -138.62 159.57 41.77 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 105.909 -1.885 . . . . 25.0 105.909 177.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -114.61 129.27 56.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.656 -0.247 . . . . 25.0 110.62 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.29 152.58 41.24 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 177.253 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.8 m -102.2 142.56 33.26 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.1 127.6 72.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.69 -1.226 . . . . 25.0 107.69 176.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -114.98 115.0 26.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 179.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.9 t -104.12 116.59 32.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.864 0.364 . . . . 25.0 111.089 -178.649 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.0 t -98.57 128.55 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -109.77 150.59 28.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.863 -1.903 . . . . 25.0 105.863 171.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -53.01 -40.52 63.91 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -178.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.28 22.8 1.41 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 -173.649 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.7 mt 60.37 26.24 15.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.35 1.071 . . . . 25.0 110.836 -179.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -85.53 25.95 0.99 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.273 -1.33 . . . . 25.0 108.547 175.449 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -72.39 155.85 39.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.798 -171.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.28 156.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.143 -1.429 . . . . 25.0 107.143 -174.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -138.78 149.66 45.25 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -156.33 175.66 13.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.366 -2.087 . . . . 25.0 105.366 -176.085 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.2 m -125.87 151.71 46.49 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 39.0 mt -123.55 139.92 53.52 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.177 0.513 . . . . 25.0 110.433 -178.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -104.1 112.91 26.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.2 m -137.12 166.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.486 -0.325 . . . . 25.0 110.264 -172.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -81.31 159.69 24.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 175.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.83 88.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 176.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -92.28 13.68 18.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.384 0.612 . . . . 25.0 112.452 -176.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -63.05 134.12 55.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.204 -1.036 . . . . 25.0 108.204 177.833 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.79 147.67 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.223 -0.298 . . . . 25.0 110.98 -178.119 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -62.51 -37.41 85.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 172.028 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -56.17 -43.56 78.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.159 0.504 . . . . 25.0 111.357 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.95 -33.21 51.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.066 -179.16 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.47 -44.89 89.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 179.33 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -27.89 69.16 Favored 'General case' 0 C--O 1.216 -0.698 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.738 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -40.3 62.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.48 0.657 . . . . 25.0 109.673 175.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.57 -39.66 94.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.141 -177.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.2 p -73.66 -25.33 60.21 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.718 -0.614 . . . . 25.0 111.265 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -35.52 77.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 178.668 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.53 -47.57 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 25.0 111.465 177.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.59 -37.93 80.25 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.184 0.516 . . . . 25.0 111.831 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.1 t -78.83 -24.26 44.57 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.054 0.454 . . . . 25.0 111.308 -177.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.67 60.49 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.104 -0.569 . . . . 25.0 112.711 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -134.48 148.15 66.36 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -67.13 135.78 38.5 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 115.541 -2.506 . . . . 25.0 111.397 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -24.71 67.71 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.143 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.415 0.524 . . . . 25.0 112.415 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -100.95 12.81 36.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.401 0.62 . . . . 25.0 109.868 -179.43 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.4 t -139.72 167.73 21.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.076 -0.511 . . . . 25.0 109.803 -173.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -121.28 136.4 54.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 175.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.3 tt -115.67 132.38 65.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -176.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.3 153.04 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.015 -176.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -139.92 135.1 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 177.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.11 40.54 28.82 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.528 0.518 . . . . 25.0 110.059 -172.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 58.18 14.57 2.84 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.062 1.504 . . . . 25.0 115.062 -178.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -113.32 143.18 28.8 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 179.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.97 145.88 63.25 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 116.172 -2.085 . . . . 25.0 113.006 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.524 ' HB3' HD11 ' A' ' 127' ' ' LEU . 17.3 mt -95.08 111.46 23.27 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 178.193 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 73.3 p -122.68 -31.74 3.67 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.136 1.532 . . . . 25.0 115.136 -172.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -85.27 77.99 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -176.841 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -61.42 -22.7 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 -171.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.44 -4.04 49.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.638 0.606 . . . . 25.0 112.638 -179.064 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.52 151.49 22.49 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 178.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 70.4 p -83.19 166.46 18.59 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 175.563 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.33 -31.21 71.33 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.313 0.578 . . . . 25.0 111.094 -178.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.89 -30.15 70.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.625 174.389 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.1 m -71.25 -16.65 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.624 0.231 . . . . 25.0 111.624 178.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -98.9 -2.7 36.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 176.134 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 72.51 27.78 68.87 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.954 -0.858 . . . . 25.0 110.954 -177.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.38 80.32 2.45 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 121.782 0.801 . . . . 25.0 110.662 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -72.33 162.47 29.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.652 -1.158 . . . . 25.0 112.389 -179.459 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.49 132.9 40.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.753 0.787 . . . . 25.0 110.323 178.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 89.11 -1.59 83.0 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.523 -0.762 . . . . 25.0 113.286 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.51 168.56 19.8 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.564 1.182 . . . . 25.0 110.559 176.028 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.86 137.09 55.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 122.5 1.143 . . . . 25.0 112.848 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.54 142.15 27.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.436 -1.691 . . . . 25.0 106.436 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 91.7 mt -116.49 129.64 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.192 -0.669 . . . . 25.0 109.192 -176.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 55.6 tp -114.82 135.89 53.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 -179.475 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -132.49 106.59 7.94 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 124.767 2.222 . . . . 25.0 110.345 173.813 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.7 p80 . . . . . 0 CA--C 1.521 -0.153 0 N-CA-C 105.836 -1.912 . . . . 25.0 105.836 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -144.57 144.87 31.52 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.449 0.642 . . . . 25.0 111.766 178.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 -177.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -123.63 154.89 38.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -178.864 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -103.73 139.95 38.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.06 123.09 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.234 -1.024 . . . . 25.0 108.234 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -106.61 116.45 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 177.162 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.5 124.28 41.67 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.1 128.11 70.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.627 -0.715 . . . . 25.0 109.491 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.521 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 54.5 mtp180 -124.06 143.57 50.36 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 177.52 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -65.82 -9.26 27.21 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.066 177.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.5 16.0 19.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.346 0.659 . . . . 25.0 111.502 -174.281 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.9 mt 56.77 35.66 26.56 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.724 1.249 . . . . 25.0 110.897 -177.263 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.8 m -106.0 26.04 10.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 113.614 -1.63 . . . . 25.0 111.831 -176.459 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 5.6 mp0 -72.11 147.96 46.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.532 0.682 . . . . 25.0 111.962 -169.118 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -151.88 150.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -177.279 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.6 t -129.11 144.71 51.29 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 177.887 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -153.99 171.2 19.41 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 -176.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.8 p -119.21 146.92 44.79 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 179.455 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -121.74 142.84 49.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 25.0 110.185 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -102.23 115.66 31.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.983 -1.008 . . . . 25.0 108.609 -178.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.75 168.14 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 25.0 111.449 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -90.56 163.15 14.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 172.35 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.48 94.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.631 0.253 . . . . 25.0 111.501 178.188 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.8 14.43 19.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.414 0.626 . . . . 25.0 112.321 -175.115 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.56 128.88 38.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 177.479 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.76 148.67 46.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.927 0.394 . . . . 25.0 111.942 -176.171 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.44 -30.04 71.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 173.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -59.27 -42.58 91.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.999 -0.546 . . . . 25.0 110.91 176.143 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -77.87 -33.85 51.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 -179.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.21 -40.26 96.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -66.19 -31.0 71.57 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.757 -0.777 . . . . 25.0 110.811 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.82 64.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.598 . . . . 25.0 109.676 176.498 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.75 -43.36 93.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.004 -179.559 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.9 p -74.86 -25.49 59.01 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.265 -0.574 . . . . 25.0 111.173 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.1 -44.17 85.13 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 175.747 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.25 -46.8 85.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.855 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.09 -36.37 72.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 25.0 112.413 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.6 t -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.998 0.428 . . . . 25.0 111.824 -177.578 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.56 13.18 82.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 121.093 -0.575 . . . . 25.0 113.154 179.242 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.8 pp -128.71 140.49 38.66 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 122.465 -0.432 . . . . 25.0 110.273 -179.662 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.29 135.64 47.57 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 117.404 -1.264 . . . . 25.0 115.267 -176.606 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -27.16 68.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.673 -0.694 . . . . 25.0 109.574 173.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.98 -29.35 66.42 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.002 -0.545 . . . . 25.0 112.334 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -95.88 15.08 21.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.725 0.774 . . . . 25.0 110.159 -177.166 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 70.5 p -146.71 -179.29 6.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.546 -174.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -129.32 148.01 51.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.448 -1.316 . . . . 25.0 107.448 178.46 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.4 tt -124.62 127.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 -176.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.18 133.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.131 -169.094 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -129.88 136.2 49.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 175.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 44.44 25.89 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.455 0.472 . . . . 25.0 111.015 -178.589 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 63.0 8.46 3.21 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.737 1.755 . . . . 25.0 115.737 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.22 139.01 26.94 Favored Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 121.582 -0.698 . . . . 25.0 110.173 178.613 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.37 149.27 56.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 116.284 -2.011 . . . . 25.0 111.757 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.92 98.01 10.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.9 p -104.26 -19.99 13.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.904 1.076 . . . . 25.0 113.904 -175.497 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.87 81.91 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.289 0.566 . . . . 25.0 109.721 -176.038 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -53.24 -38.29 62.85 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.553 1.316 . . . . 25.0 114.553 -175.15 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -82.11 -0.59 45.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 -176.455 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -77.41 145.32 37.26 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 105.832 -1.914 . . . . 25.0 105.832 172.584 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 58.2 p -79.73 163.72 24.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.379 -1.341 . . . . 25.0 107.379 171.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.17 -33.54 76.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.979 0.419 . . . . 25.0 110.106 -179.327 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.2 71.23 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.005 -0.434 . . . . 25.0 110.786 176.168 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.1 m -70.89 -16.47 62.69 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.709 0.29 . . . . 25.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -97.39 -5.92 35.21 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 175.672 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.99 20.87 56.95 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-O 119.496 -0.614 . . . . 25.0 113.813 -178.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.96 84.89 0.97 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 121.724 0.773 . . . . 25.0 110.258 178.482 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -71.73 158.18 36.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.905 -1.043 . . . . 25.0 108.222 173.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -57.84 132.62 53.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 175.418 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.31 -13.33 64.63 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.462 -0.79 . . . . 25.0 113.912 -178.186 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.03 157.24 35.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.166 0.983 . . . . 25.0 110.311 177.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.11 136.54 60.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.979 0.895 . . . . 25.0 111.925 -177.078 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.72 139.75 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.22 -1.4 . . . . 25.0 107.22 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.08 121.57 61.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -179.71 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 tt -104.42 131.73 51.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 105.292 -2.114 . . . . 25.0 105.292 179.232 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -129.72 121.52 27.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.701 0.682 . . . . 25.0 112.636 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 124.704 2.193 . . . . 25.0 111.264 176.861 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -139.14 161.79 36.54 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -110.86 133.0 53.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 -178.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.18 150.23 48.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 177.575 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.4 m -96.58 140.43 31.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.8 t -125.15 124.65 67.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 178.317 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -112.75 111.83 22.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -97.49 130.29 44.59 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -178.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.7 t -118.94 133.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 -117.41 148.99 41.27 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.344 -1.725 . . . . 25.0 106.344 171.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.92 -31.42 70.94 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.671 0.272 . . . . 25.0 111.338 -179.479 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.08 27.6 0.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -177.319 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.8 mt 56.87 26.32 11.49 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.545 1.138 . . . . 25.0 113.708 177.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.47 25.83 1.36 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.798 0.839 . . . . 25.0 111.509 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -72.46 150.4 43.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.172 -170.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.91 157.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 -174.156 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.2 t -138.26 147.55 43.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 177.163 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -159.34 -178.47 7.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 -177.148 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -130.19 151.73 50.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.872 -0.418 . . . . 25.0 109.872 178.325 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.08 147.62 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.353 0.408 . . . . 25.0 110.094 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -102.62 127.6 49.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 176.082 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.24 166.9 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.285 -174.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.04 163.05 22.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 172.384 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.71 0.29 . . . . 25.0 110.816 177.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -96.89 19.58 12.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.683 0.754 . . . . 25.0 112.414 -174.201 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.41 127.6 32.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 177.038 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.76 152.19 45.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.656 0.265 . . . . 25.0 111.198 -176.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.428 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.6 mm? -68.28 -27.04 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.188 -0.32 . . . . 25.0 111.16 175.018 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . 0.407 ' HB2' HD22 ' A' ' 157' ' ' ASN . 83.6 t60 -65.6 -45.42 83.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 175.572 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.01 -41.07 78.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.655 0.74 . . . . 25.0 109.36 178.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.58 -42.81 97.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.526 0.936 . . . . 25.0 113.526 -178.193 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.428 HH21 ' HB3' ' A' ' 127' ' ' LEU . 20.7 ptp180 -69.95 -27.89 65.11 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 119.734 -0.787 . . . . 25.0 111.166 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.13 66.19 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 175.406 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.8 -40.15 95.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.62 0.724 . . . . 25.0 109.351 177.497 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.37 -42.35 96.22 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.255 176.339 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.13 -41.02 95.96 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 122.447 0.299 . . . . 25.0 110.573 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.89 -47.82 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 25.0 110.944 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -69.39 -41.51 76.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.412 0.625 . . . . 25.0 112.059 -177.029 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.8 t -83.28 -20.34 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.49 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.02 179.508 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.2 pp -126.87 140.69 38.36 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 122.592 -0.358 . . . . 25.0 110.469 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.14 125.91 16.79 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 117.319 -1.321 . . . . 25.0 113.744 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.59 69.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 25.0 110.09 176.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.9 -25.53 68.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.884 -0.598 . . . . 25.0 112.371 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -99.31 19.37 15.58 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.182 0.515 . . . . 25.0 110.007 -178.075 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.2 t -136.73 161.08 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 116.027 1.862 . . . . 25.0 116.027 -171.29 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.98 154.33 44.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.091 -1.448 . . . . 25.0 107.091 172.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.8 tt -128.11 133.92 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 109.781 -0.452 . . . . 25.0 109.781 -174.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.34 138.92 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.819 0.848 . . . . 25.0 111.2 -169.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -135.54 136.77 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.419 -1.326 . . . . 25.0 107.419 175.745 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.28 43.87 23.18 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.48 0.487 . . . . 25.0 111.536 -178.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 61.09 13.54 4.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.764 1.765 . . . . 25.0 115.764 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.0 134.65 24.41 Favored Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 121.632 -0.668 . . . . 25.0 109.725 175.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.26 145.74 55.1 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 116.316 -1.989 . . . . 25.0 111.608 179.563 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -90.29 73.83 7.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 28.7 p -68.84 -35.34 76.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.178 -0.919 . . . . 25.0 112.611 -174.466 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.28 92.21 8.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 -175.567 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.407 HD22 ' HB2' ' A' ' 128' ' ' HIS . 14.5 p-10 -67.82 -24.2 65.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.519 -0.764 . . . . 25.0 112.898 -175.231 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -81.17 -5.19 57.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.261 0.467 . . . . 25.0 112.261 -177.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -88.62 148.59 23.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.2 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 89.3 p -86.65 167.73 14.25 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -178.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.96 -41.22 99.45 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 116.198 -0.455 . . . . 25.0 111.504 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.37 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.085 -0.384 . . . . 25.0 110.934 176.484 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 66.8 m -68.53 -17.97 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.224 -0.298 . . . . 25.0 111.693 178.092 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.94 -4.9 25.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 25.0 110.204 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.6 25.13 51.59 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-O 119.679 -0.511 . . . . 25.0 114.183 -179.232 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.9 84.61 0.95 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.129 0.965 . . . . 25.0 111.174 178.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -67.37 156.21 37.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.322 -0.853 . . . . 25.0 111.641 176.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.26 130.29 34.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 25.0 109.761 173.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.65 -0.65 74.17 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.89 -0.596 . . . . 25.0 113.848 179.501 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 174.72 10.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.328 1.064 . . . . 25.0 110.55 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.13 139.56 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.975 0.893 . . . . 25.0 113.238 -173.764 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.2 t -114.19 138.03 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 107.583 -1.265 . . . . 25.0 107.583 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.1 mp -109.49 123.52 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 -178.553 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.8 tt -109.89 137.71 47.29 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -126.98 111.48 14.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.253 0.549 . . . . 25.0 110.44 -179.638 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 123.68 1.705 . . . . 25.0 111.366 -177.055 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 p80 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 104.202 -2.518 . . . . 25.0 104.202 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -139.66 168.56 19.55 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.164 -1.05 . . . . 25.0 108.164 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 tp -126.11 130.77 51.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.299 -0.26 . . . . 25.0 110.299 -177.224 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.95 140.94 51.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 177.169 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.4 m -93.35 138.01 32.11 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 177.485 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.3 t -125.17 125.11 68.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 179.443 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -110.52 117.18 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 177.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.7 t -100.99 126.42 47.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 25.0 110.222 179.337 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.5 t -112.05 128.24 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.989 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -117.96 144.82 45.18 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.976 -1.861 . . . . 25.0 105.976 168.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -66.97 -12.22 59.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.194 0.521 . . . . 25.0 110.911 176.005 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.48 16.52 8.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.849 -1.069 . . . . 25.0 111.581 -176.028 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.8 mt 56.19 30.48 16.61 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.266 1.027 . . . . 25.0 113.064 179.311 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 26.19 5.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.491 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -72.55 145.57 47.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.281 -0.872 . . . . 25.0 109.385 -166.294 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -149.97 144.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.792 -1.094 . . . . 25.0 109.541 -172.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.1 t -124.77 143.17 50.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 177.799 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.87 174.0 14.64 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.485 -2.043 . . . . 25.0 105.485 -177.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -135.35 142.45 45.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.79 143.36 45.21 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.604 0.565 . . . . 25.0 110.905 -176.675 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -102.27 120.38 40.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 177.111 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.88 167.33 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.126 -0.488 . . . . 25.0 109.901 -171.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.34 162.03 22.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 174.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 176.014 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.79 17.28 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.605 0.716 . . . . 25.0 112.009 -176.749 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -65.81 131.73 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 177.51 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.37 149.01 50.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.033 0.133 . . . . 25.0 110.662 -176.03 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.542 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.3 mm? -68.5 -27.05 65.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.766 -0.584 . . . . 25.0 110.573 174.752 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -66.47 -42.51 87.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.427 0.632 . . . . 25.0 109.498 176.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -41.1 68.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.714 0.769 . . . . 25.0 109.484 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.64 -46.49 88.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.542 HH21 ' HB3' ' A' ' 127' ' ' LEU . 19.7 ptp180 -68.4 -27.9 66.63 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 119.964 -0.694 . . . . 25.0 111.22 -179.338 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.08 78.12 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 175.48 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.14 -38.65 91.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.797 -0.446 . . . . 25.0 109.797 176.726 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.56 -37.44 87.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.214 -0.304 . . . . 25.0 110.998 177.592 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.03 -42.44 97.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.5 -44.49 96.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.737 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.45 -36.17 73.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -178.83 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.2 p -87.54 -20.69 26.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -175.091 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.05 30.18 76.45 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.064 -0.589 . . . . 25.0 114.556 176.27 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 pp -124.74 146.27 52.37 Favored Pre-proline 0 N--CA 1.47 0.526 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -66.13 124.79 13.07 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 116.082 -2.145 . . . . 25.0 112.053 178.073 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -26.47 68.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 25.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.16 -22.87 67.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -99.62 10.14 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 25.0 110.738 -178.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 p -130.77 171.47 13.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -170.387 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.1 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 174.314 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.08 136.17 60.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 -176.507 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.4 m -133.78 152.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.178 0.513 . . . . 25.0 111.377 -176.875 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -139.21 137.36 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.056 -2.572 . . . . 25.0 104.056 174.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 35.22 17.25 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.274 0.559 . . . . 25.0 110.345 -173.643 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 58.91 20.0 7.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -120.2 142.17 33.12 Favored Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 176.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -72.29 144.9 42.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 116.704 -1.731 . . . . 25.0 114.33 -175.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.85 67.32 8.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 177.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 40.2 p -70.83 -28.49 64.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.812 -176.574 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -85.37 112.98 21.33 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 -178.452 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -94.77 -16.83 22.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.85 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.82 -32.35 35.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.071 0.463 . . . . 25.0 109.818 -176.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -56.26 149.83 15.58 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.756 175.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -89.18 170.2 10.81 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 170.178 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.21 -33.74 76.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.229 0.537 . . . . 25.0 110.132 -179.435 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.88 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.477 176.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 14.2 m -68.65 -16.51 63.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 179.002 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -102.03 -6.28 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 25.0 110.439 175.656 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.36 24.91 71.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -174.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.84 80.41 1.61 Allowed 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.638 0.733 . . . . 25.0 109.724 -178.754 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -76.15 165.81 24.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.035 -0.984 . . . . 25.0 112.033 -177.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.47 128.48 34.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.346 -0.843 . . . . 25.0 108.931 172.07 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.19 -11.6 58.58 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.449 -0.796 . . . . 25.0 113.579 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.18 159.54 31.47 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 118.067 0.933 . . . . 25.0 109.901 176.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -126.28 137.52 57.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.97 0.891 . . . . 25.0 110.71 -177.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.43 144.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -177.278 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.9 mt -119.52 129.23 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -177.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.6 tt -117.98 135.42 54.16 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.493 -1.669 . . . . 25.0 106.493 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -131.13 128.55 40.35 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.574 0.625 . . . . 25.0 112.144 -179.06 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 125.854 2.74 . . . . 25.0 111.706 177.534 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.51 165.78 25.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 179.399 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -117.5 137.76 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.237 -0.282 . . . . 25.0 110.237 -174.634 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.19 153.1 40.53 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 174.114 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -108.45 142.6 38.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.273 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.58 131.93 72.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.553 -1.277 . . . . 25.0 107.553 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -116.23 116.49 27.88 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 175.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.8 t -97.52 125.05 41.99 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -179.434 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.09 130.99 63.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.743 0.783 . . . . 25.0 111.788 -176.816 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -124.12 141.11 52.33 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 105.154 -2.165 . . . . 25.0 105.154 172.608 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -68.03 -13.79 62.47 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.124 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -95.63 22.95 6.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.567 . . . . 25.0 110.277 -177.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt 54.97 29.59 12.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.556 1.143 . . . . 25.0 113.248 -179.561 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.59 25.84 1.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.989 -1.005 . . . . 25.0 110.267 176.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.55 149.98 43.56 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.71 -1.132 . . . . 25.0 111.683 -167.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.58 154.81 8.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 -177.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.22 148.36 46.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 174.791 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -156.23 172.32 18.67 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 -176.63 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.0 m -129.69 149.79 51.29 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.56 146.52 52.09 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.908 -178.264 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -102.91 125.36 49.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 178.044 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.0 m -138.93 171.35 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.236 -1.024 . . . . 25.0 108.236 -172.813 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.21 164.45 13.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.916 -1.142 . . . . 25.0 107.916 175.46 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.44 74.12 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 176.249 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -91.62 19.38 6.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 25.0 112.053 -178.219 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -73.56 136.66 44.04 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -64.27 141.93 58.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.076 -0.342 . . . . 25.0 110.076 179.23 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.13 -33.14 75.09 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 174.379 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.9 -43.23 98.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.04 0.447 . . . . 25.0 111.141 176.718 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -72.19 -34.03 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 -179.745 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -64.18 -42.84 96.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.997 0.369 . . . . 25.0 111.997 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -66.73 -31.44 72.1 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.69 -0.804 . . . . 25.0 110.704 179.169 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.4 65.28 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.276 0.56 . . . . 25.0 110.261 178.098 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.37 -38.45 91.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.43 0.633 . . . . 25.0 109.46 178.349 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.49 -43.03 98.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.647 176.078 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.44 -41.72 98.94 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.486 0.315 . . . . 25.0 110.332 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.96 -45.29 89.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.601 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -69.05 -39.66 79.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.363 0.601 . . . . 25.0 111.786 -177.507 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.2 p -83.99 -19.46 34.5 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -176.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.94 79.21 Favored Glycine 0 CA--C 1.517 0.157 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.743 176.217 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -127.49 142.72 44.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.31 143.02 75.36 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 116.578 -1.815 . . . . 25.0 115.233 -174.411 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.21 70.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.497 -0.774 . . . . 25.0 109.267 174.784 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.09 70.16 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.083 -179.571 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -93.33 7.29 45.03 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.015 0.436 . . . . 25.0 110.264 -178.345 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 m -131.44 158.36 41.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.829 1.418 . . . . 25.0 114.829 -171.647 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.08 150.5 49.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.224 -1.769 . . . . 25.0 106.224 172.596 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.82 137.84 56.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 -176.466 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.1 p -140.18 142.62 31.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.867 -1.161 . . . . 25.0 107.867 -172.583 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -135.64 132.25 36.8 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 -177.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.0 44.97 25.63 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.569 0.543 . . . . 25.0 110.441 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 62.11 8.69 2.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.783 1.772 . . . . 25.0 115.783 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -115.54 131.76 23.47 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.622 -0.673 . . . . 25.0 109.782 177.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.66 146.48 67.14 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 116.029 -2.18 . . . . 25.0 112.086 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.9 mt -89.56 89.59 7.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 70.9 p -94.4 -12.55 27.63 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -173.29 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -105.39 104.94 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.438 0.637 . . . . 25.0 110.026 -176.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -70.5 -26.71 63.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.48 -0.782 . . . . 25.0 113.1 -178.571 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.57 -9.17 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.588 0.709 . . . . 25.0 112.483 -172.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -75.98 136.61 40.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.7 p -73.92 161.8 29.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.655 -1.609 . . . . 25.0 106.655 172.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.73 -33.62 75.52 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.375 0.607 . . . . 25.0 110.244 -179.566 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.52 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.951 176.576 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.4 m -70.86 -16.49 62.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.707 0.262 . . . . 25.0 111.707 179.173 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -96.84 -9.07 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.533 0.206 . . . . 25.0 110.526 175.441 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.98 20.69 64.67 Favored Glycine 0 N--CA 1.454 -0.162 0 N-CA-C 111.113 -0.795 . . . . 25.0 111.113 -176.025 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.5 81.54 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.888 0.852 . . . . 25.0 110.118 -178.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -72.39 169.58 16.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.515 -1.221 . . . . 25.0 113.083 -178.808 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.59 128.65 38.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.97 -1.014 . . . . 25.0 109.635 173.005 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.39 0.47 82.36 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.281 -0.872 . . . . 25.0 113.763 178.327 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.37 162.83 26.17 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.643 1.222 . . . . 25.0 110.837 178.083 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.27 136.44 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -172.699 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.97 161.18 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 175.207 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 98.2 mt -122.12 132.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -178.204 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 12.5 tp -115.61 139.96 49.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 179.119 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -130.41 121.64 26.29 Favored 'General case' 0 CA--C 1.508 -0.642 0 O-C-N 121.915 -0.491 . . . . 25.0 109.755 175.195 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 123.474 1.607 . . . . 25.0 111.514 -178.669 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.5 p80 . . . . . 0 C--O 1.235 0.34 0 N-CA-C 103.957 -2.609 . . . . 25.0 103.957 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -121.07 168.54 11.43 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 172.793 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -120.34 138.5 53.69 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 -176.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -127.55 150.07 49.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.386 -1.339 . . . . 25.0 107.386 174.108 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -110.39 133.92 52.81 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.2 133.56 67.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 -178.418 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.88 115.96 28.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 173.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -97.51 129.29 44.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 25.0 109.748 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.6 t -112.69 127.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.434 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.588 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 31.6 mmm-85 -122.06 140.73 52.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.665 -1.605 . . . . 25.0 106.665 -178.387 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.51 -17.85 64.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.776 0.322 . . . . 25.0 111.689 178.114 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.95 13.71 4.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -176.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.0 mt 58.4 35.25 24.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.954 1.359 . . . . 25.0 110.128 -176.212 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -106.01 26.03 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.126 -1.852 . . . . 25.0 110.939 -175.752 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.588 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 14.0 mp0 -72.42 148.07 45.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.574 0.702 . . . . 25.0 110.993 -168.356 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.26 155.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 -174.366 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -135.74 146.69 47.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 175.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -154.55 173.73 15.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 -175.385 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.3 m -129.94 146.93 51.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 178.724 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.0 mt -120.91 145.84 47.25 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.044 0.45 . . . . 25.0 111.45 -176.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -103.61 113.58 27.2 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.15 163.05 27.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.513 -0.18 . . . . 25.0 110.513 -174.229 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -82.17 163.25 22.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 175.558 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.62 93.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.653 -0.249 . . . . 25.0 111.022 176.824 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -94.73 15.45 18.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.481 0.658 . . . . 25.0 112.64 -175.364 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.9 132.42 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 176.469 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.64 151.41 47.4 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.151 -0.343 . . . . 25.0 111.742 -177.294 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.29 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 174.25 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.406 0.622 . . . . 25.0 110.417 175.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -69.56 -39.44 77.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.532 0.682 . . . . 25.0 109.338 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.58 -44.26 96.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.902 0.705 . . . . 25.0 112.902 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -69.27 -27.89 65.83 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.728 -0.789 . . . . 25.0 110.426 -179.266 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.11 -40.67 71.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.099 0.476 . . . . 25.0 109.851 174.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.1 -36.13 82.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.931 0.872 . . . . 25.0 109.744 178.195 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.28 -38.97 92.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.746 175.572 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -36.32 83.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.8 -49.56 76.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 25.0 111.203 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.86 -32.09 65.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.278 0.561 . . . . 25.0 111.839 -178.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t -81.38 -21.11 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -177.241 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.21 12.47 84.31 Favored Glycine 0 CA--C 1.518 0.231 0 N-CA-C 114.475 0.55 . . . . 25.0 114.475 177.681 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.8 pt -135.52 145.97 55.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 117.307 0.554 . . . . 25.0 109.933 -179.486 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -63.71 135.91 51.08 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 117.005 -1.53 . . . . 25.0 113.775 -178.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.6 -24.66 67.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.115 178.173 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.11 69.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 25.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -92.53 19.11 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.389 0.614 . . . . 25.0 110.287 -177.259 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -145.67 170.5 16.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 -177.169 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -125.13 127.81 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 178.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.2 tt -97.03 132.57 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 -179.114 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.45 135.04 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 123.819 0.847 . . . . 25.0 110.362 -170.55 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -135.96 138.91 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 176.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.49 41.27 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.34 0.59 . . . . 25.0 110.284 -176.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 58.92 12.2 2.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.464 1.653 . . . . 25.0 115.464 -178.029 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -116.05 139.66 25.36 Favored Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 121.78 -0.575 . . . . 25.0 110.273 176.617 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 150.46 56.8 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 115.839 -2.307 . . . . 25.0 112.024 177.693 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.13 95.36 7.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.396 -0.965 . . . . 25.0 108.396 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.6 p -83.88 -23.31 31.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 25.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -90.78 115.87 28.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.713 -0.676 . . . . 25.0 109.486 -177.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -94.65 -22.91 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 -176.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.82 -8.74 59.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 118.134 2.642 . . . . 25.0 118.134 -165.27 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 164' ' ' TYR . 97.1 mtt180 -93.03 163.85 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 176.38 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -79.59 165.34 23.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.183 177.223 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.86 -41.77 96.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.494 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.76 -31.13 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.734 0.302 . . . . 25.0 110.758 177.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -71.32 -16.49 62.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 178.599 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 159' ' ' ARG . 69.2 m-85 -102.0 -2.49 29.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.617 0.246 . . . . 25.0 110.472 175.457 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.29 15.75 66.0 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 114.393 0.517 . . . . 25.0 114.393 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.84 81.71 2.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 117.959 0.879 . . . . 25.0 109.326 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 170.85 15.83 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.491 0.662 . . . . 25.0 112.625 -178.072 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -53.02 118.03 3.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.52 75.34 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-O 119.536 -0.591 . . . . 25.0 114.101 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -72.13 160.37 32.57 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.996 0.898 . . . . 25.0 110.288 179.244 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.13 130.11 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.732 0.777 . . . . 25.0 112.57 -172.475 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.96 151.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 106.828 -1.545 . . . . 25.0 106.828 177.56 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 64.0 mt -126.08 126.14 69.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 -178.305 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 38.6 tp -102.85 131.61 49.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 177.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -128.39 113.6 15.78 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.705 0.632 . . . . 25.0 112.705 -177.699 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 124.677 2.179 . . . . 25.0 111.056 174.157 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.7 p80 . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 105.765 -1.939 . . . . 25.0 105.765 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -109.26 166.66 10.69 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.252 0.548 . . . . 25.0 110.122 178.892 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.3 tp -125.22 132.48 52.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 -178.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -122.11 153.61 38.47 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 178.525 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.5 m -106.88 141.21 38.47 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.114 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.97 128.38 75.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 179.193 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -113.76 111.0 21.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -97.45 122.71 40.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.227 0.537 . . . . 25.0 110.514 -176.099 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.1 t -105.4 126.41 60.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.172 -178.092 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -119.16 147.62 43.99 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.055 -1.831 . . . . 25.0 106.055 174.067 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -61.0 -33.15 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.693 0.997 . . . . 25.0 113.693 -173.899 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -85.7 27.75 0.83 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -173.644 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt 56.28 27.31 11.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 122.468 1.128 . . . . 25.0 111.629 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.5 m -88.05 25.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.162 -1.381 . . . . 25.0 110.637 179.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.37 152.31 42.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.059 -0.973 . . . . 25.0 110.319 -165.154 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -148.64 155.26 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -173.306 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -136.97 149.05 47.3 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 175.441 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -156.68 173.25 17.23 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 105.888 -1.893 . . . . 25.0 105.888 -177.685 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.7 m -128.18 151.19 49.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.6 mt -126.82 142.01 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.27 0.557 . . . . 25.0 111.65 -177.43 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -95.3 115.2 27.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 178.883 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 m -138.26 161.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.323 0.582 . . . . 25.0 111.436 -175.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -81.76 161.35 23.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 175.807 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.7 98.22 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 177.642 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -93.87 17.61 11.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.664 0.745 . . . . 25.0 112.565 -176.041 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -66.14 132.78 49.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 177.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.25 150.54 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.919 0.34 . . . . 25.0 111.919 -177.646 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.84 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 169.304 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -59.58 -41.6 90.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.759 177.552 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -77.85 -37.14 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.713 0.768 . . . . 25.0 110.03 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -61.13 -43.2 99.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.085 -0.507 . . . . 25.0 112.334 -179.193 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -68.06 -28.08 67.06 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.627 -0.429 . . . . 25.0 111.33 179.14 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.78 68.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 176.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.58 -36.55 84.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.479 0.657 . . . . 25.0 109.491 176.21 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.31 -36.28 83.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.805 178.189 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.73 -44.15 97.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.657 -0.498 . . . . 25.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.59 -47.31 86.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.281 -0.418 . . . . 25.0 112.023 -178.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -75.45 -32.54 60.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.808 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 93.6 p -83.68 -23.1 31.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.885 -0.51 . . . . 25.0 112.097 -177.523 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.12 11.06 85.9 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.966 -0.635 . . . . 25.0 113.66 177.578 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.2 pt -127.19 145.21 53.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 178.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.89 139.03 66.07 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 116.792 -1.672 . . . . 25.0 114.065 -176.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.69 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 174.148 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.5 67.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.077 -0.51 . . . . 25.0 111.869 178.717 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -100.89 9.64 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.762 0.315 . . . . 25.0 110.743 -178.267 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -139.0 160.1 40.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.566 0.698 . . . . 25.0 112.818 -171.379 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -121.41 152.5 38.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 177.726 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -115.79 135.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.5 t -133.92 137.88 51.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.062 0.945 . . . . 25.0 109.423 -173.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . 0.407 ' HB3' HD21 ' A' ' 154' ' ' LEU . 53.8 t80 -142.02 141.48 32.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.397 -1.705 . . . . 25.0 106.397 175.332 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.82 45.3 24.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.9 0.381 . . . . 25.0 110.771 -178.124 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 60.54 10.09 2.37 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.455 1.65 . . . . 25.0 115.455 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -125.78 141.84 40.43 Favored Pre-proline 0 N--CA 1.469 0.498 0 O-C-N 121.741 -0.599 . . . . 25.0 110.434 -177.61 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.57 147.85 46.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 116.185 -2.077 . . . . 25.0 112.855 -178.346 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 149' ' ' TYR . 73.9 mt -95.47 103.24 15.1 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 178.135 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.7 p -112.77 -23.27 10.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.29 1.218 . . . . 25.0 114.29 -173.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.33 98.06 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 179.453 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.81 -25.16 66.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.173 -0.921 . . . . 25.0 112.93 -175.848 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.98 -8.63 58.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.132 0.789 . . . . 25.0 113.132 -172.836 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -87.51 145.04 26.41 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 178.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -81.45 166.46 20.34 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 173.362 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.34 -37.42 87.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.518 -0.31 . . . . 25.0 111.401 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.141 -0.35 . . . . 25.0 110.451 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.2 m -69.53 -16.76 63.5 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.656 0.243 . . . . 25.0 111.656 177.621 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -99.0 -6.69 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.578 0.228 . . . . 25.0 110.609 176.008 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.52 18.69 59.81 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.235 -0.507 . . . . 25.0 113.64 -178.247 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.07 84.04 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 117.833 0.817 . . . . 25.0 109.85 178.292 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -66.42 162.15 21.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.174 -0.921 . . . . 25.0 110.448 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -58.88 130.43 46.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 25.0 109.156 173.709 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.44 -3.84 82.06 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.059 -0.973 . . . . 25.0 113.734 179.016 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -76.19 163.98 26.53 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.539 1.169 . . . . 25.0 111.58 178.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 23.5 t -116.76 129.14 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 25.0 112.361 -173.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.74 145.46 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.197 -1.779 . . . . 25.0 106.197 174.038 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -113.15 124.89 70.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.974 -1.121 . . . . 25.0 107.974 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 11.7 tp -105.98 140.01 39.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.1 -1.815 . . . . 25.0 106.1 177.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -135.01 112.15 10.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -176.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.205 -1.242 0 CA-C-O 125.209 2.433 . . . . 25.0 110.688 175.612 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -146.48 152.82 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 -178.196 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.4 tp -107.33 123.51 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -178.723 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.84 156.38 28.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 -178.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.4 m -112.55 138.36 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.962 0.41 . . . . 25.0 110.058 -179.448 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.03 124.12 66.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -103.45 119.0 38.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 174.611 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.6 t -97.55 125.14 42.09 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.2 t -116.73 127.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.455 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 6.4 mtm180 -119.31 146.79 44.97 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 178.674 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.13 -28.94 70.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.503 . . . . 25.0 110.07 176.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.55 24.5 1.19 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -175.797 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.8 mt 55.54 38.2 29.9 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.181 0.991 . . . . 25.0 112.744 177.271 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 m -105.85 25.59 10.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.625 -1.17 . . . . 25.0 113.19 -177.576 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.455 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 13.2 mp0 -72.38 146.94 46.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.66 0.743 . . . . 25.0 112.172 -164.843 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.88 154.3 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 -175.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 t -130.25 145.09 51.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 176.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -154.24 173.74 15.72 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -176.79 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -127.12 152.63 47.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.11 146.84 52.51 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.926 0.49 . . . . 25.0 109.972 -177.656 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -105.07 126.13 51.74 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.43 165.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 -174.502 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.67 158.97 24.08 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 105.515 -2.031 . . . . 25.0 105.515 172.421 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.96 -35.08 77.42 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 174.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -90.75 13.03 17.34 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -177.058 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -67.8 133.98 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 179.421 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.87 150.13 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.454 -0.154 . . . . 25.0 110.905 -179.341 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -34.81 77.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 171.736 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -59.36 -43.55 92.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 25.0 110.663 179.473 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -77.93 -32.13 51.42 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.388 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -63.68 -44.52 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -69.86 -29.19 66.37 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.164 -0.614 . . . . 25.0 110.58 -179.692 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.76 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.439 0.638 . . . . 25.0 109.543 174.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.08 -38.48 90.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.108 179.685 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.9 p -77.47 -25.31 50.36 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.652 -0.655 . . . . 25.0 111.516 177.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.6 -37.0 86.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 175.834 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.48 -46.21 90.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 25.0 111.725 178.585 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -77.19 -31.34 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.188 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 80.1 p -84.27 -19.94 33.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.092 -0.38 . . . . 25.0 111.765 -178.176 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.24 12.09 84.68 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 121.304 -0.474 . . . . 25.0 113.898 176.605 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.6 pt -132.52 145.56 57.75 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 117.229 0.515 . . . . 25.0 110.648 -179.24 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.0 134.06 41.32 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 116.797 -1.669 . . . . 25.0 114.478 -177.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.62 -24.7 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 25.0 109.618 175.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.22 -26.07 65.52 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.95 -0.568 . . . . 25.0 112.091 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -96.3 9.15 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.142 0.496 . . . . 25.0 110.974 -177.248 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.3 p -137.78 172.49 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.386 0.612 . . . . 25.0 111.145 -175.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -125.52 138.12 53.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -179.628 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.0 tt -107.37 132.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.839 0.828 . . . . 25.0 109.198 -178.112 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.2 t -122.06 137.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.911 -1.04 . . . . 25.0 109.331 -174.174 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -138.62 135.61 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.245 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.4 41.56 28.37 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.309 0.576 . . . . 25.0 110.38 -175.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 59.16 12.1 2.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.527 1.677 . . . . 25.0 115.527 -177.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -117.75 141.46 29.1 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.801 -0.562 . . . . 25.0 109.575 177.202 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.79 149.74 54.71 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 115.214 -2.724 . . . . 25.0 111.845 178.818 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 74.6 mt -92.37 141.79 28.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.37 -1.715 . . . . 25.0 106.37 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.6 p -128.5 -43.58 1.41 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.109 1.522 . . . . 25.0 115.109 -174.415 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -85.44 96.67 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.637 . . . . 25.0 110.417 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -68.12 -21.31 64.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -174.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -75.81 -16.66 60.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -174.129 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -77.96 148.68 34.36 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.038 0.447 . . . . 25.0 111.818 -176.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.7 m -70.67 157.17 38.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.934 174.015 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 66.1 mt -65.28 -35.3 80.6 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.075 0.464 . . . . 25.0 111.085 179.016 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.06 69.89 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.1 -0.375 . . . . 25.0 111.262 175.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.9 m -69.81 -16.5 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 179.356 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -99.4 -5.98 28.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.997 -0.372 . . . . 25.0 109.997 174.552 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.51 21.48 62.03 Favored Glycine 0 N--CA 1.454 -0.148 0 N-CA-C 111.69 -0.564 . . . . 25.0 111.69 -176.569 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.27 81.48 3.05 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 122.115 0.959 . . . . 25.0 110.632 -178.822 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -74.6 171.64 13.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 113.511 -1.677 . . . . 25.0 114.194 -177.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.76 128.89 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.761 172.53 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 87.74 -2.52 85.99 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 25.0 113.341 175.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -77.42 158.73 29.89 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.143 0.972 . . . . 25.0 110.664 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 16.7 t -123.2 135.3 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.973 -171.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.91 158.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 172.819 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 66.6 mt -125.22 115.22 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -178.834 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -96.51 131.72 42.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.981 -1.488 . . . . 25.0 106.981 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -124.68 120.11 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.686 0.279 . . . . 25.0 111.705 -177.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 125.289 2.471 . . . . 25.0 110.544 174.086 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -145.83 161.61 39.57 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.0 tp -107.68 135.09 49.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 25.0 110.787 -177.382 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.6 mt -124.94 146.04 49.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 177.321 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -102.49 136.99 41.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 177.294 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.06 130.24 74.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -119.49 108.04 14.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.8 m -97.86 121.28 39.59 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 122.363 0.265 . . . . 25.0 110.291 -176.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.6 t -109.87 132.29 58.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 122.703 0.401 . . . . 25.0 111.933 -175.503 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -113.59 151.21 31.98 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 172.565 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -62.65 -32.1 73.08 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.873 0.368 . . . . 25.0 111.163 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.54 31.31 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.134 0.79 . . . . 25.0 113.134 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt 52.93 39.78 29.82 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 122.431 1.11 . . . . 25.0 112.384 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.98 25.19 11.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.364 -1.289 . . . . 25.0 112.252 -177.211 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -72.37 152.42 42.06 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.073 0.94 . . . . 25.0 113.256 -170.569 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.8 p -145.49 152.52 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.274 -1.75 . . . . 25.0 106.274 -176.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -139.92 148.94 42.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.632 -1.248 . . . . 25.0 107.632 176.879 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -157.31 174.1 15.95 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 -176.394 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 56.1 m -126.51 146.77 49.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 178.322 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.76 147.66 50.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 -178.33 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -108.28 128.32 54.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.545 -1.28 . . . . 25.0 107.545 177.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.83 160.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -177.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.22 160.74 30.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.22 0.533 . . . . 25.0 110.026 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.45 81.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.221 0.534 . . . . 25.0 109.982 175.855 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -98.64 16.12 23.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.858 -0.61 . . . . 25.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.2 143.2 57.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.04 139.81 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 25.0 111.329 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.63 -33.26 72.52 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 175.017 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -54.23 -48.25 71.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.525 -0.307 . . . . 25.0 111.641 175.311 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -77.82 -29.41 50.65 Favored 'General case' 0 C--O 1.211 -0.924 0 C-N-CA 120.959 -0.297 . . . . 25.0 111.195 -176.084 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.4 -38.71 90.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.963 0.411 . . . . 25.0 111.295 176.399 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -60.98 -49.54 77.04 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 175.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.13 83.67 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.036 -0.984 . . . . 25.0 111.521 -179.019 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.8 mp -64.91 -47.63 77.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.134 -0.354 . . . . 25.0 111.187 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 17.6 p -72.1 -25.42 61.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.022 -0.671 . . . . 25.0 111.179 -178.488 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.39 -46.74 72.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.45 -43.61 85.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.522 -179.241 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -65.46 -35.34 80.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.255 0.55 . . . . 25.0 110.789 -178.755 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.5 m -81.69 -26.24 34.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.748 178.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.39 33.02 49.72 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.048 -0.596 . . . . 25.0 112.165 179.504 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.5 pt -120.17 154.44 55.98 Favored Pre-proline 0 C--O 1.217 -0.658 0 O-C-N 122.671 -0.311 . . . . 25.0 111.486 -173.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -73.88 138.7 26.38 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 115.904 -2.264 . . . . 25.0 111.941 174.736 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.35 -32.53 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.885 -0.509 . . . . 25.0 111.561 175.228 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.04 -24.57 67.15 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.6 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -104.16 15.62 28.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.316 0.246 . . . . 25.0 111.142 -177.678 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.8 p -127.97 154.49 45.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.152 1.167 . . . . 25.0 114.152 -176.133 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -138.99 136.39 35.31 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 173.314 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -114.81 133.67 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.239 0.543 . . . . 25.0 109.88 -173.593 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.87 136.42 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.625 0.77 . . . . 25.0 110.85 -171.83 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -132.62 135.52 45.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 176.214 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.46 47.39 22.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 123.272 0.358 . . . . 25.0 110.913 -179.126 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 62.88 2.99 1.08 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.726 1.75 . . . . 25.0 115.726 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -117.2 138.01 24.49 Favored Pre-proline 0 N--CA 1.468 0.435 0 O-C-N 121.763 -0.586 . . . . 25.0 109.69 -178.445 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.13 146.86 47.24 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 115.794 -2.338 . . . . 25.0 113.457 -176.115 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.44 58.56 2.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 176.707 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -37.45 71.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.322 -0.854 . . . . 25.0 111.144 -177.21 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -75.02 129.84 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 178.226 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.76 4.24 47.68 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.853 174.919 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.3 1.68 24.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 118.808 2.892 . . . . 25.0 118.808 -165.325 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.417 ' HB2' ' CE2' ' A' ' 164' ' ' TYR . 99.8 mtt180 -137.38 166.1 24.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.563 0.62 . . . . 25.0 110.284 -178.276 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 162.49 27.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.098 -0.501 . . . . 25.0 111.142 175.902 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.84 -45.74 91.48 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -177.786 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.12 70.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.891 0.377 . . . . 25.0 110.724 178.728 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.1 t -72.77 -16.53 61.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.381 0.512 . . . . 25.0 112.381 178.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 159' ' ' ARG . 57.5 m-85 -95.22 -2.05 50.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.828 -0.804 . . . . 25.0 108.828 173.592 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.39 20.58 60.09 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.233 -0.439 . . . . 25.0 112.606 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.15 80.46 4.57 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 -177.827 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.17 160.9 31.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.005 -0.998 . . . . 25.0 113.189 -177.581 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.32 128.43 35.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.225 171.592 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.44 -2.09 77.25 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.486 -0.779 . . . . 25.0 114.059 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.72 164.72 23.49 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.572 1.186 . . . . 25.0 112.19 178.852 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.7 130.74 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 25.0 111.446 -175.106 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.66 136.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.806 -1.553 . . . . 25.0 106.806 178.178 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.2 mt -111.18 128.92 67.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 -178.271 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.8 tt -115.51 143.67 44.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.474 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -118.68 133.12 56.08 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 123.466 1.603 . . . . 25.0 110.941 -179.164 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.5 p80 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 104.129 -2.545 . . . . 25.0 104.129 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -151.18 172.16 16.25 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -119.75 132.25 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 -179.495 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.7 mt -121.69 153.85 37.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.75 -1.204 . . . . 25.0 107.75 176.256 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -107.27 137.49 45.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 178.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.02 128.57 73.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -108.83 122.0 46.26 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.821 -1.177 . . . . 25.0 107.821 175.536 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 96.6 m -113.47 117.97 33.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.026 0.917 . . . . 25.0 111.731 -177.003 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.1 t -91.7 113.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -91.76 145.45 24.57 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 174.285 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -58.64 -34.2 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.336 0.589 . . . . 25.0 111.365 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.63 19.08 3.02 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -173.154 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.6 mt 58.95 26.04 14.5 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 122.569 1.175 . . . . 25.0 111.057 -177.351 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.1 m -87.08 25.83 1.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 125.572 1.549 . . . . 25.0 110.27 177.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.94 149.3 45.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.328 -0.851 . . . . 25.0 110.194 -163.169 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.88 156.46 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.688 -1.142 . . . . 25.0 110.082 -166.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -128.14 145.93 50.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 174.562 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -154.52 173.95 15.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.352 -1.721 . . . . 25.0 106.352 178.172 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -127.6 146.9 50.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 179.543 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -119.67 144.77 47.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.474 -178.296 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -100.56 124.25 45.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.761 -1.941 . . . . 25.0 105.761 175.85 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.1 m -140.7 165.34 20.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -174.271 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -87.34 164.47 16.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.314 -0.995 . . . . 25.0 108.314 174.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.06 99.17 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -94.36 17.85 12.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.842 0.829 . . . . 25.0 112.299 -175.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.06 133.53 55.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 179.132 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HB2' ' H ' ' A' ' 129' ' ' ASN . 79.0 mt-10 -63.97 149.09 48.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.455 -0.202 . . . . 25.0 110.455 179.443 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -64.24 -36.77 85.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 168.52 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -58.36 -39.85 80.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.894 177.621 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.436 ' H ' ' HB2' ' A' ' 126' ' ' GLU . 23.3 t-20 -77.99 -36.44 48.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.698 0.761 . . . . 25.0 110.084 177.584 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.27 -45.58 92.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.696 -0.627 . . . . 25.0 112.186 179.242 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.98 69.25 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.11 178.826 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.62 71.25 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.076 0.398 . . . . 25.0 110.044 177.454 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.45 -40.65 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 25.0 109.6 177.474 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.9 t -62.94 -43.5 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.177 -0.465 . . . . 25.0 110.614 177.764 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.09 -42.63 90.95 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.273 0.629 . . . . 25.0 110.8 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.89 -50.43 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.23 -0.441 . . . . 25.0 112.021 179.479 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -70.36 -33.32 71.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.069 0.461 . . . . 25.0 111.774 -177.705 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.1 m -77.56 -28.93 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 -177.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.57 11.4 85.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.864 -0.684 . . . . 25.0 112.583 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.8 pt -131.46 141.61 42.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 179.081 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -64.09 135.69 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 116.19 -2.073 . . . . 25.0 113.013 -178.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.29 69.53 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.192 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.76 -25.04 64.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.863 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.11 19.15 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 m -140.58 179.21 6.81 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -176.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -128.26 150.82 49.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 172.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.14 133.85 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.415 0.626 . . . . 25.0 111.242 -176.008 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 144.62 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.196 0.522 . . . . 25.0 110.917 -173.454 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -145.81 135.69 23.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 177.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.18 43.01 29.39 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 122.757 0.423 . . . . 25.0 111.112 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 59.79 7.19 1.03 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.623 1.712 . . . . 25.0 115.623 -178.33 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -113.41 137.35 22.06 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.063 -0.718 . . . . 25.0 109.063 178.787 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.8 148.18 64.24 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 115.476 -2.549 . . . . 25.0 111.436 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.46 ' HB3' HD11 ' A' ' 127' ' ' LEU . 28.5 mt -89.2 75.25 7.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 -178.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 38.2 p -90.51 -30.52 17.23 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.805 2.15 . . . . 25.0 116.805 -172.4 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -83.13 86.09 7.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 -172.31 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -61.23 -21.4 63.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.81 -2.7 55.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -179.471 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -87.14 152.87 21.96 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 176.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 11.0 m -86.24 166.31 15.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 171.047 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.39 -35.98 81.7 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.785 -0.572 . . . . 25.0 110.637 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.14 69.31 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.197 -0.315 . . . . 25.0 111.117 174.419 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.4 m -70.47 -16.57 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -97.68 -6.04 33.95 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 174.575 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.61 71.83 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.712 -0.955 . . . . 25.0 110.712 -175.117 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.17 81.68 1.8 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 121.449 0.642 . . . . 25.0 109.639 -178.565 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 164.06 20.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.682 -178.589 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.48 119.3 3.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.512 0.93 . . . . 25.0 113.512 -177.025 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.83 -9.41 51.58 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.404 -0.816 . . . . 25.0 113.991 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -66.99 153.77 42.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 118.105 0.953 . . . . 25.0 110.591 178.581 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.94 127.87 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.494 -0.775 . . . . 25.0 110.856 -176.8 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.9 142.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 176.715 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 90.6 mt -118.8 126.31 75.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 -178.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.72 133.54 53.02 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.242 -1.762 . . . . 25.0 106.242 175.257 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -124.32 120.38 31.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.53 0.681 . . . . 25.0 112.416 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 . . . . . 0 C--O 1.21 -1.02 0 CA-C-O 124.094 1.902 . . . . 25.0 110.278 171.287 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 101.592 -3.484 . . . . 25.0 101.592 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -137.03 152.18 49.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 172.638 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.4 tp -102.08 131.96 48.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 -178.532 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.83 151.74 44.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 176.205 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 138.72 43.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.15 123.3 65.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 178.37 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -103.73 120.33 40.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.767 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -97.49 123.26 41.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 179.306 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.62 124.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.822 -0.626 . . . . 25.0 110.206 -179.588 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.407 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 69.1 mtp180 -123.06 143.89 49.66 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 107.856 -1.165 . . . . 25.0 107.856 174.074 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.81 -25.03 64.63 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -175.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.47 28.63 1.92 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.887 0.375 . . . . 25.0 111.96 -176.02 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt 54.58 32.73 17.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 122.235 1.017 . . . . 25.0 112.286 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.407 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 0.8 OUTLIER -91.15 25.63 2.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.713 -1.131 . . . . 25.0 109.553 179.364 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -72.33 148.02 45.76 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.575 -1.193 . . . . 25.0 111.37 -168.636 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -155.16 148.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 107.888 -1.152 . . . . 25.0 107.888 -178.187 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 t -124.9 144.78 50.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.618 -1.623 . . . . 25.0 106.618 175.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -150.8 170.78 18.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.147 -1.797 . . . . 25.0 106.147 -178.461 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.5 p -128.46 152.84 47.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 -179.708 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.65 148.93 52.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 -175.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -103.35 125.42 49.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 177.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.42 163.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 -177.244 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.3 -1.371 . . . . 25.0 107.3 173.649 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.37 90.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 175.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -95.46 19.25 11.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 25.0 112.539 -177.473 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.8 134.03 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 178.108 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.62 145.85 50.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -177.376 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -64.02 -26.67 68.67 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.422 0.63 . . . . 25.0 109.446 169.861 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -63.57 -44.68 93.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.694 -0.685 . . . . 25.0 110.614 179.541 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -77.33 -33.36 55.52 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.865 0.364 . . . . 25.0 110.285 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -61.9 -41.95 98.49 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 25.0 113.45 -178.35 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -65.72 -30.98 71.73 Favored 'General case' 0 C--O 1.216 -0.696 0 C-N-CA 119.995 -0.682 . . . . 25.0 110.441 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.71 64.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.085 0.469 . . . . 25.0 109.975 175.285 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -64.73 -45.03 88.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 25.0 110.836 -178.564 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.8 p -75.55 -25.52 57.21 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.563 -0.455 . . . . 25.0 111.241 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -65.77 -45.33 82.92 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 176.346 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.71 -45.35 93.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.159 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.82 -35.93 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -177.012 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.6 p -84.06 -21.29 31.59 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.79 -0.569 . . . . 25.0 112.135 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.09 9.65 86.4 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 121.158 -0.544 . . . . 25.0 113.829 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.46 144.14 52.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 117.336 0.568 . . . . 25.0 110.062 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -63.93 138.56 63.46 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 117.303 -1.331 . . . . 25.0 115.384 -175.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.5 -29.4 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.389 -0.967 . . . . 25.0 108.389 172.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.648 -0.706 . . . . 25.0 112.761 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -99.93 8.23 44.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.506 . . . . 25.0 111.172 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 71.7 p -134.45 177.26 7.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 -176.407 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -127.41 116.09 19.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.327 0.584 . . . . 25.0 109.731 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -88.75 131.19 36.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 179.4 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.7 p -140.56 141.05 33.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.514 0.673 . . . . 25.0 109.875 -174.361 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -142.39 134.03 26.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 179.35 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 43.53 25.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.015 0.436 . . . . 25.0 110.686 -177.171 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 60.61 8.52 1.75 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.305 1.594 . . . . 25.0 115.305 -178.34 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -112.27 135.46 21.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 121.818 -0.551 . . . . 25.0 110.055 178.9 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -70.95 149.97 60.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 115.985 -2.21 . . . . 25.0 112.13 179.237 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 127' ' ' LEU . 61.7 mt -102.71 77.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.319 0.581 . . . . 25.0 111.058 -178.693 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 34.3 p -92.04 -43.64 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -176.032 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.54 117.92 17.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.161 0.801 . . . . 25.0 113.161 -172.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -78.51 1.86 21.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.664 177.015 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -72.07 3.59 4.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.087 1.143 . . . . 25.0 114.087 -176.089 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -144.51 150.97 38.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.815 -0.553 . . . . 25.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 23.2 p -83.05 167.83 17.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.289 -0.869 . . . . 25.0 109.012 174.149 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -42.19 98.08 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.09 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.871 -0.518 . . . . 25.0 110.851 178.398 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.1 -16.58 63.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 178.084 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.404 ' CE2' HD12 ' A' ' 127' ' ' LEU . 45.1 m-85 -97.13 -3.58 40.84 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 174.319 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 94.01 9.46 59.53 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-O 119.527 -0.596 . . . . 25.0 114.104 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.47 85.29 1.52 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.105 0.952 . . . . 25.0 109.809 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -76.6 166.25 23.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.476 -0.783 . . . . 25.0 110.017 175.457 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.27 129.02 33.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 25.0 109.574 174.577 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.59 -8.25 68.66 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.7 -0.682 . . . . 25.0 114.357 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.4 160.13 29.84 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 117.952 0.876 . . . . 25.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.1 131.53 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 113.117 0.784 . . . . 25.0 113.117 -172.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 51.6 t -109.73 146.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.782 -1.562 . . . . 25.0 106.782 176.603 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 89.1 mt -118.81 134.0 63.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 178.805 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.8 126.01 50.89 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 177.253 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -119.96 119.49 33.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.965 0.728 . . . . 25.0 112.965 -172.474 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 125.15 2.405 . . . . 25.0 111.168 175.306 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 122.614 1.197 . . . . 25.0 113.848 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.88 150.53 5.28 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 111.037 -0.825 . . . . 25.0 111.037 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -137.97 105.72 5.62 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -123.97 159.7 29.2 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -139.95 173.56 11.4 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 106.744 -1.576 . . . . 25.0 106.744 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -119.33 152.75 36.22 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.827 -1.916 . . . . 25.0 105.827 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -153.21 161.64 42.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.545 -1.65 . . . . 25.0 106.545 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.6 174.3 15.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -144.93 155.02 43.19 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 104.819 -2.289 . . . . 25.0 104.819 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -155.65 161.54 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -140.98 148.8 40.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -138.51 169.09 18.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.491 -1.3 . . . . 25.0 107.491 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 p -140.04 157.44 45.65 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.797 -1.557 . . . . 25.0 106.797 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 t -161.0 154.27 21.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.18 167.01 43.24 Favored Glycine 0 C--O 1.228 -0.23 0 N-CA-C 111.897 -0.481 . . . . 25.0 111.897 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -151.35 133.8 15.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -143.51 146.58 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -123.58 -13.4 7.54 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.334 0.588 . . . . 25.0 111.273 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.05 -141.48 34.48 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 110.57 -1.012 . . . . 25.0 110.57 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -139.52 121.36 15.47 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -160.53 175.1 13.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 104.689 -2.337 . . . . 25.0 104.689 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -152.37 154.65 36.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.8 tp -104.88 130.03 53.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.157 -0.474 . . . . 25.0 110.843 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.99 145.34 45.9 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 m -99.52 139.44 35.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.427 -0.583 . . . . 25.0 109.427 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.13 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.969 -1.123 . . . . 25.0 107.969 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -120.24 110.55 16.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 75.3 m -99.22 126.43 45.01 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.7 t -114.62 128.64 71.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.409 0.623 . . . . 25.0 111.69 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.449 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 40.5 mtp180 -117.79 141.95 47.83 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 104.686 -2.339 . . . . 25.0 104.686 169.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -67.66 -9.08 40.14 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.54 0.686 . . . . 25.0 111.357 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.55 12.4 10.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.718 1.207 . . . . 25.0 111.71 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.3 mt 58.05 25.31 12.17 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.459 1.103 . . . . 25.0 112.992 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.449 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 1.0 OUTLIER -97.14 25.37 5.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.321 176.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -72.33 148.8 44.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.285 -0.871 . . . . 25.0 109.914 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.9 p -149.69 153.78 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 107.851 -1.166 . . . . 25.0 107.851 -171.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -135.76 146.96 48.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -156.67 177.5 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.094 -1.817 . . . . 25.0 106.094 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.5 p -131.98 155.01 48.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.789 -0.819 . . . . 25.0 108.789 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.0 mt -132.75 144.67 50.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.835 0.454 . . . . 25.0 111.339 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -93.44 126.36 38.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.9 m -140.74 165.78 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.985 0.421 . . . . 25.0 110.136 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -83.84 160.58 21.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.93 92.92 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.798 -0.564 . . . . 25.0 109.831 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.55 17.5 16.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.622 0.725 . . . . 25.0 112.222 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.64 137.46 58.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.83 146.95 53.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.155 -0.341 . . . . 25.0 110.189 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.84 -33.06 74.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.624 -1.25 . . . . 25.0 107.624 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.2 -41.0 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.667 -0.697 . . . . 25.0 112.785 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -80.52 -37.87 30.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.704 0.764 . . . . 25.0 109.796 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.77 -44.36 96.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.707 -0.621 . . . . 25.0 112.05 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -27.93 68.88 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.835 -0.54 . . . . 25.0 110.707 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.29 -38.58 71.77 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.08 -37.3 85.44 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.175 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.33 -41.26 98.88 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 120.823 0.344 . . . . 25.0 110.085 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.6 -44.23 97.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.999 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.92 -51.5 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.84 -35.18 69.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.969 0.414 . . . . 25.0 112.051 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.0 t -82.97 -22.97 33.57 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -176.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.44 16.61 80.59 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.292 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.7 pt -131.38 138.69 33.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -63.91 140.02 70.95 Favored 'Trans proline' 0 C--N 1.349 0.571 0 N-CA-C 116.058 1.522 . . . . 25.0 116.058 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.69 68.04 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.188 -0.915 . . . . 25.0 108.642 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.88 65.81 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.375 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -103.37 11.62 36.38 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.456 0.646 . . . . 25.0 110.683 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -143.25 171.25 14.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.64 0.733 . . . . 25.0 112.377 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -131.59 153.35 49.99 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.7 133.46 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.088 -1.079 . . . . 25.0 108.088 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.77 138.65 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.407 -0.815 . . . . 25.0 110.104 -170.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -141.52 140.53 33.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 44.71 26.27 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.063 0.458 . . . . 25.0 110.857 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.688 1.736 . . . . 25.0 115.688 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -126.45 141.1 39.04 Favored Pre-proline 0 N--CA 1.47 0.561 0 O-C-N 121.415 -0.803 . . . . 25.0 112.242 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -64.89 146.07 87.16 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 116.259 -2.027 . . . . 25.0 112.644 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.17 92.26 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.299 -1.371 . . . . 25.0 107.299 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -85.4 -25.79 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.815 1.043 . . . . 25.0 113.815 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -95.41 103.74 15.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.769 0.795 . . . . 25.0 111.463 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -63.59 -27.7 69.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.205 -0.907 . . . . 25.0 111.038 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -90.75 23.2 3.19 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 143.87 33.81 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 105.073 -2.195 . . . . 25.0 105.073 170.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.4 p -86.34 160.97 18.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.39 -42.25 98.41 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.874 0.369 . . . . 25.0 111.581 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.99 -30.16 68.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 59.8 p -75.74 -17.25 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.708 -0.397 . . . . 25.0 111.926 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -88.9 -13.89 38.05 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 87.91 12.38 66.27 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 110.663 -0.975 . . . . 25.0 110.663 -174.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.85 82.92 2.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.433 -0.581 . . . . 25.0 109.433 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.86 176.09 5.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 25.0 112.259 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.99 127.09 17.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.782 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.36 -10.73 69.29 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.172 -0.922 . . . . 25.0 114.033 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.11 160.75 30.09 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 117.908 0.854 . . . . 25.0 111.43 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 14.5 t -125.13 137.14 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.3 m -118.75 155.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.46 121.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.2 tt -102.26 134.5 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -123.99 109.29 13.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.872 0.469 . . . . 25.0 110.939 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 123.86 1.79 . . . . 25.0 111.804 179.388 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 122.868 1.318 . . . . 25.0 113.761 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.55 155.06 24.22 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 107.211 -2.356 . . . . 25.0 107.211 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -89.07 -42.0 11.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.676 0.738 . . . . 25.0 112.543 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -158.0 171.04 20.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 106.881 -1.525 . . . . 25.0 106.881 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -139.31 165.7 26.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -153.72 149.42 27.47 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.954 -1.498 . . . . 25.0 106.954 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -135.12 166.86 22.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.1 m80 53.84 34.41 19.23 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.846 0.716 . . . . 25.0 111.672 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -96.98 10.93 37.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 25.0 111.305 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -84.19 132.6 34.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.551 -1.278 . . . . 25.0 107.551 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -152.11 145.75 24.98 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -149.03 141.15 23.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 p -153.49 106.94 2.98 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.2 p -155.48 166.4 33.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.837 -1.171 . . . . 25.0 107.837 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.17 156.82 32.17 Favored Glycine 0 C--O 1.226 -0.382 0 C-N-CA 121.412 -0.423 . . . . 25.0 112.133 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -164.58 -49.29 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.91 0.386 . . . . 25.0 110.443 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.3 pt -135.36 162.15 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 25.0 110.197 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -107.05 9.83 30.43 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.865 0.84 . . . . 25.0 109.115 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.48 -140.45 24.43 Favored Glycine 0 CA--C 1.518 0.224 0 N-CA-C 111.293 -0.723 . . . . 25.0 111.293 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 56.12 22.88 6.37 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.057 1.873 . . . . 25.0 116.057 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -139.91 165.76 26.44 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -135.14 161.05 36.43 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 123.736 0.647 . . . . 25.0 110.405 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.2 tp -105.23 134.66 47.97 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.03 0.532 . . . . 25.0 110.06 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.52 150.88 47.03 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.6 m -103.98 136.44 43.62 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.4 t -125.08 126.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -112.67 109.84 19.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 35.0 t -97.5 129.84 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.49 131.8 72.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 120.959 0.409 . . . . 25.0 111.7 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -126.97 147.16 50.12 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -28.77 63.74 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.041 0.448 . . . . 25.0 111.29 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -74.72 9.2 1.93 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 114.423 1.268 . . . . 25.0 114.423 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.5 mt 59.21 26.84 15.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 122.417 1.104 . . . . 25.0 110.277 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t -90.99 21.44 4.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.888 -1.506 . . . . 25.0 107.628 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.54 151.57 42.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.01 -0.995 . . . . 25.0 111.311 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -153.41 148.8 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 t -127.56 137.94 52.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.82 175.36 12.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.846 -1.538 . . . . 25.0 106.846 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -129.25 147.89 51.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -131.87 150.52 52.13 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 135.91 44.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.1 m -140.31 158.98 25.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -83.79 166.02 18.34 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.05 88.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.57 0.7 . . . . 25.0 110.653 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.3 2.89 51.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.394 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.7 126.58 28.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.387 -0.597 . . . . 25.0 109.387 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 160' ' ' SER . 47.0 mt-10 -78.48 153.56 31.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 25.0 111.687 -175.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -36.04 79.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.14 177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -57.77 -45.99 85.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.124 0.488 . . . . 25.0 109.697 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.5 -35.58 77.7 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.263 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -63.86 -36.39 83.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.704 -0.622 . . . . 25.0 112.521 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -66.03 -43.11 88.55 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.56 95.83 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.558 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.96 -42.42 89.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -73.36 -25.41 60.58 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.237 -0.585 . . . . 25.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -67.82 -42.71 81.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 175.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.14 -46.49 86.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.517 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -68.54 -42.9 77.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.216 0.532 . . . . 25.0 111.979 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.2 t -75.73 -26.94 57.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.22 14.64 81.71 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.785 -0.526 . . . . 25.0 111.785 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.61 130.01 22.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.26 131.93 49.2 Favored 'Trans proline' 0 C--N 1.352 0.761 0 N-CA-C 115.684 1.378 . . . . 25.0 115.684 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.2 -23.58 63.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.45 69.25 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.845 0.355 . . . . 25.0 110.9 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -84.48 15.01 3.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.86 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.8 p -139.03 169.36 17.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 116.675 2.102 . . . . 25.0 116.675 -172.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -117.5 149.36 40.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.996 -1.853 . . . . 25.0 105.996 168.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -116.6 131.37 69.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.213 -1.403 . . . . 25.0 107.213 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 123.729 0.811 . . . . 25.0 110.442 -169.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -140.87 142.06 34.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.59 -1.634 . . . . 25.0 106.59 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.89 44.78 28.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.188 0.518 . . . . 25.0 110.141 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.18 10.04 1.54 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.999 1.852 . . . . 25.0 115.999 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -127.94 146.6 59.7 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 121.594 -0.691 . . . . 25.0 111.408 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.89 150.56 55.52 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 116.2 -2.067 . . . . 25.0 112.975 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 54.1 mt -90.28 140.79 29.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.9 p -126.46 -43.45 1.75 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.848 1.796 . . . . 25.0 115.848 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -80.54 98.28 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -76.47 -12.05 59.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.76 -17.99 32.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.327 0.584 . . . . 25.0 110.627 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -65.81 150.57 48.34 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 120.577 -0.449 . . . . 25.0 110.346 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 95.0 p -77.82 162.6 26.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 171.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.7 mt -67.18 -33.13 74.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.199 0.523 . . . . 25.0 110.006 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.2 70.06 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.358 -0.383 . . . . 25.0 111.228 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.2 m -69.85 -16.48 63.27 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.02 0.378 . . . . 25.0 112.02 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -99.12 -7.09 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.73 24.15 54.0 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.223 -0.751 . . . . 25.0 111.223 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.59 83.35 1.54 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.55 164.89 22.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.707 -0.679 . . . . 25.0 112.007 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -54.87 128.64 34.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.234 -0.893 . . . . 25.0 110.217 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.69 -11.83 64.59 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.795 -0.639 . . . . 25.0 114.519 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.75 150.57 48.31 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.314 1.057 . . . . 25.0 111.351 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.66 130.13 65.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.392 -0.822 . . . . 25.0 109.53 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.4 t -116.96 139.14 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.3 132.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 18.5 tp -116.86 127.86 54.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.311 -1.737 . . . . 25.0 106.311 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -122.94 107.83 12.28 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.792 -0.567 . . . . 25.0 111.162 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 123.693 1.711 . . . . 25.0 111.586 178.55 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 122.722 1.248 . . . . 25.0 113.677 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.69 174.49 44.57 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 109.572 -1.411 . . . . 25.0 109.572 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -146.06 140.89 27.1 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 170.71 21.81 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 -177.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.77 162.16 35.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -100.8 95.13 6.44 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -80.86 117.98 21.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.468 . . . . 25.0 110.873 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.57 153.97 22.91 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.443 -1.318 . . . . 25.0 107.443 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -134.64 165.33 25.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -117.39 162.07 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -149.02 166.11 29.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 103.591 -2.744 . . . . 25.0 103.591 176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -94.23 155.69 16.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.123 -1.066 . . . . 25.0 108.123 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.1 p -149.97 161.15 42.89 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 104.55 -2.389 . . . . 25.0 104.55 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.8 m 51.99 -156.71 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.024 0.827 . . . . 25.0 112.254 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 171.19 -177.21 44.24 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 107.014 -2.434 . . . . 25.0 107.014 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -115.39 101.24 8.72 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.996 -1.113 . . . . 25.0 107.996 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.2 tt -101.72 136.55 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 106.02 -1.845 . . . . 25.0 106.02 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -141.01 145.7 36.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.06 159.48 31.49 Favored Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 108.51 -1.836 . . . . 25.0 108.51 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -78.55 136.99 37.68 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -154.23 170.45 21.21 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 102.237 -3.246 . . . . 25.0 102.237 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -143.01 161.35 38.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.428 0.558 . . . . 25.0 109.725 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.77 135.0 54.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -127.13 157.84 38.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 m -111.5 143.91 41.58 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.1 t -125.05 119.38 55.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -101.21 108.94 20.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -94.19 124.95 38.52 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.39 127.28 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.421 0.629 . . . . 25.0 110.846 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -110.41 142.97 41.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -70.05 -8.23 47.55 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-O 121.224 0.535 . . . . 25.0 110.857 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -99.2 15.97 24.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.079 -0.964 . . . . 25.0 109.641 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt 57.13 25.21 10.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.32 26.05 1.76 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.686 0.755 . . . . 25.0 110.31 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.35 150.58 43.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.86 -1.064 . . . . 25.0 113.208 -172.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -153.2 154.48 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -130.06 141.96 50.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 176.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -153.72 170.73 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -126.08 151.83 46.67 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.239 0.472 . . . . 25.0 110.711 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.01 148.5 48.43 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.15 139.84 37.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.503 -0.925 . . . . 25.0 108.503 176.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.31 167.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -83.58 162.5 20.81 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.85 97.67 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 122.122 -0.361 . . . . 25.0 111.326 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -96.44 18.14 14.62 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.602 0.715 . . . . 25.0 111.37 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.74 126.79 28.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.21 148.73 49.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.592 -0.277 . . . . 25.0 110.927 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.75 -29.83 70.39 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.192 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -59.35 -43.94 92.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.073 0.463 . . . . 25.0 110.355 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -77.86 -34.18 51.84 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.356 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -64.62 -41.95 95.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -27.33 66.31 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.691 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.44 64.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.94 -43.55 78.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.335 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.3 p -74.92 -25.36 58.85 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.134 -0.626 . . . . 25.0 111.241 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -65.49 -41.58 93.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.67 -48.11 78.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.583 -0.281 . . . . 25.0 111.575 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -68.31 -38.94 82.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.093 0.473 . . . . 25.0 112.014 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 t -82.1 -21.55 36.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.52 27.48 73.41 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.02 -0.61 . . . . 25.0 114.151 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 37.9 pt -126.4 146.8 57.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -64.98 132.88 33.65 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 115.915 -2.257 . . . . 25.0 112.788 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.38 -28.24 69.56 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.178 -0.465 . . . . 25.0 109.899 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.57 -25.38 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -97.16 11.62 35.66 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.264 0.554 . . . . 25.0 110.79 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.4 p -146.53 173.49 12.27 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 -174.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -138.62 144.91 39.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 25.0 110.736 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -100.08 133.18 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.841 0.829 . . . . 25.0 108.823 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.02 133.88 67.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.059 -0.973 . . . . 25.0 108.69 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -138.58 141.61 39.2 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.31 41.64 28.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.212 0.53 . . . . 25.0 109.93 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 59.63 11.34 2.34 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.484 1.661 . . . . 25.0 115.484 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -124.58 146.5 52.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 O-C-N 121.499 -0.75 . . . . 25.0 111.586 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.74 150.34 62.07 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 115.785 -2.343 . . . . 25.0 112.54 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.52 137.0 32.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 82.6 p -126.25 -6.54 6.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.701 2.111 . . . . 25.0 116.701 -170.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -122.19 99.73 6.58 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.821 0.819 . . . . 25.0 109.022 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -75.84 -11.97 60.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.96 -5.97 58.92 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.665 -0.647 . . . . 25.0 110.816 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -86.53 148.76 25.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 54.8 p -81.85 162.35 22.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.379 -0.828 . . . . 25.0 110.121 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.11 -34.64 78.5 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.07 0.462 . . . . 25.0 111.628 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.92 -29.76 70.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.517 -0.311 . . . . 25.0 111.315 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -68.47 -18.25 64.37 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.256 -0.277 . . . . 25.0 111.577 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -102.15 -2.44 29.32 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.206 0.527 . . . . 25.0 110.618 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.52 60.37 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-O 119.161 -0.799 . . . . 25.0 113.732 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.46 86.0 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.145 0.972 . . . . 25.0 109.83 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -80.55 163.64 23.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.682 0.754 . . . . 25.0 110.801 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -56.11 122.14 11.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.661 0.744 . . . . 25.0 112.127 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.47 -7.6 56.21 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.514 -0.767 . . . . 25.0 113.454 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -69.51 158.26 35.56 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.165 0.983 . . . . 25.0 109.378 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.58 141.94 44.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.678 -0.692 . . . . 25.0 110.053 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.63 159.27 17.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.277 -1.379 . . . . 25.0 107.277 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.19 120.9 65.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -98.61 123.22 42.66 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.796 -2.298 . . . . 25.0 104.796 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.06 117.32 28.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.359 -0.838 . . . . 25.0 111.343 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 126.483 3.04 . . . . 25.0 111.296 176.767 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 75.7 mtm . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 124.895 2.283 . . . . 25.0 112.695 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.81 158.64 39.11 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 113.013 -1.903 . . . . 25.0 110.76 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -142.61 137.05 29.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t60 65.56 169.85 0.21 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.494 1.118 . . . . 25.0 110.762 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -152.82 134.21 14.36 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 121.591 -0.693 . . . . 25.0 111.877 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.3 t60 46.19 47.36 13.28 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.13 1.9 . . . . 25.0 116.13 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -71.93 114.71 10.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.801 -1.555 . . . . 25.0 106.801 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -128.24 146.5 50.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.578 0.228 . . . . 25.0 110.962 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -72.03 140.86 49.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -112.58 42.8 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.787 0.803 . . . . 25.0 109.888 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -153.93 143.45 21.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -150.44 133.73 16.31 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.5 t 54.11 30.16 11.58 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.301 1.223 . . . . 25.0 114.301 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m 60.38 179.3 0.1 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.863 0.865 . . . . 25.0 113.048 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.08 151.74 17.39 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 109.144 -1.582 . . . . 25.0 109.144 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -75.09 154.08 38.03 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.3 tt -146.59 156.08 11.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 105.028 -2.212 . . . . 25.0 105.028 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -71.93 140.6 49.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -108.15 -81.71 1.37 Allowed Glycine 0 C--O 1.222 -0.637 0 C-N-CA 121.507 -0.378 . . . . 25.0 112.776 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 53.26 47.04 25.21 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.521 0.728 . . . . 25.0 112.867 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -123.45 163.2 21.33 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -110.59 162.47 14.69 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 134.64 53.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.12 152.47 41.07 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.1 m -102.65 140.13 37.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.777 -1.194 . . . . 25.0 107.777 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.07 130.37 73.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -116.22 112.45 21.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.1 t -97.58 122.07 40.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.42 126.6 70.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.329 0.585 . . . . 25.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.71 143.75 42.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 173.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.55 -27.42 68.61 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.298 0.57 . . . . 25.0 110.25 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.72 11.5 1.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.1 mt 58.59 23.1 10.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.335 1.054 . . . . 25.0 112.02 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.4 t -92.71 25.76 2.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.558 -1.201 . . . . 25.0 108.317 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.154 -0.93 . . . . 25.0 111.547 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.4 154.85 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 t -133.75 147.17 51.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 174.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -154.19 176.09 12.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 p -132.56 153.45 50.98 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.0 mt -129.84 147.2 51.58 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -103.99 126.51 51.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.075 -1.824 . . . . 25.0 106.075 172.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.4 m -136.73 161.95 35.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -84.56 165.34 18.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.57 86.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -91.3 17.12 8.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.35 128.15 35.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.512 -0.742 . . . . 25.0 110.64 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -69.08 151.97 45.77 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.754 0.311 . . . . 25.0 111.345 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -61.75 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.102 172.485 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -64.75 -36.79 85.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 25.0 111.09 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -77.87 -35.5 50.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.782 0.801 . . . . 25.0 109.473 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.0 -44.5 96.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 25.0 112.019 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -27.97 68.83 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 119.925 -0.71 . . . . 25.0 110.908 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.98 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.158 0.435 . . . . 25.0 109.885 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.99 -38.96 92.7 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.232 0.539 . . . . 25.0 110.366 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.3 t -63.86 -42.86 97.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.207 0.527 . . . . 25.0 110.489 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.92 -39.85 93.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.566 . . . . 25.0 110.695 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.56 -48.4 81.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -75.63 -34.74 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 84.2 p -77.74 -25.56 49.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.054 -0.404 . . . . 25.0 111.446 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.71 13.75 78.18 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 121.001 -0.618 . . . . 25.0 114.116 175.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.41 148.28 63.47 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -63.39 135.31 49.26 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 116.397 -1.935 . . . . 25.0 113.947 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.31 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.729 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.94 -21.67 66.44 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.163 -0.471 . . . . 25.0 112.258 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.86 9.92 40.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 25.0 109.786 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.7 m -134.43 155.32 50.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.857 1.428 . . . . 25.0 114.857 -171.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -113.26 143.27 44.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -123.84 132.81 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.97 152.98 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.538 0.685 . . . . 25.0 111.666 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -141.44 137.01 31.89 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 105.196 -2.15 . . . . 25.0 105.196 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.68 43.31 24.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.367 0.417 . . . . 25.0 111.406 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 57.63 23.87 9.85 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -132.39 148.18 68.66 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.06 153.33 52.06 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 116.493 -1.871 . . . . 25.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.413 ' HB3' HD11 ' A' ' 127' ' ' LEU . 43.6 mt -103.59 116.1 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 175.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.4 p -130.15 -37.65 1.45 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 117.089 2.255 . . . . 25.0 117.089 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -83.54 109.34 17.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 -168.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -68.61 -17.1 64.05 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.869 -0.519 . . . . 25.0 109.807 173.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -75.07 5.39 5.34 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.649 0.78 . . . . 25.0 111.307 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -126.69 140.27 52.52 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.175 0.512 . . . . 25.0 109.686 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -80.76 165.02 22.31 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.905 -1.517 . . . . 25.0 106.905 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.58 -33.07 75.06 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.819 -0.551 . . . . 25.0 111.28 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.14 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.948 -0.47 . . . . 25.0 110.35 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.6 m -70.98 -16.5 62.64 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.626 -0.261 . . . . 25.0 111.203 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -97.5 -4.05 38.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.841 -0.429 . . . . 25.0 109.841 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.99 16.86 60.38 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-O 119.632 -0.538 . . . . 25.0 114.205 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.1 86.57 0.75 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.029 0.915 . . . . 25.0 111.326 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 157.14 37.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.402 -0.817 . . . . 25.0 111.286 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -59.47 130.04 44.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.624 0.726 . . . . 25.0 109.386 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.69 -10.78 70.52 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.097 -0.956 . . . . 25.0 113.733 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.04 161.86 29.61 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 118.144 0.972 . . . . 25.0 111.358 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.03 129.46 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -171.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.17 141.72 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 92.1 mt -116.97 131.27 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.1 tt -123.78 140.71 52.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -132.88 124.33 27.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.666 0.269 . . . . 25.0 110.935 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 122.953 1.359 . . . . 25.0 110.19 175.405 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 124.482 2.087 . . . . 25.0 113.121 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.92 -168.46 52.26 Favored Glycine 0 C--O 1.223 -0.537 0 CA-C-N 113.231 -1.804 . . . . 25.0 112.684 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -122.56 46.78 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -68.4 138.31 55.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.296 -0.865 . . . . 25.0 111.576 -175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -127.82 69.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.655 0.74 . . . . 25.0 109.889 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -154.14 168.09 27.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -137.67 156.46 48.0 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.256 -1.386 . . . . 25.0 107.256 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -141.34 132.85 26.92 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.439 -0.208 . . . . 25.0 110.439 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -157.43 72.1 0.67 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -82.0 64.04 6.5 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.497 0.665 . . . . 25.0 111.678 -176.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -132.38 135.59 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -76.31 141.18 41.68 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.295 -1.743 . . . . 25.0 106.295 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.6 p -78.75 -27.77 44.78 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.871 0.322 . . . . 25.0 111.871 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.0 p -164.33 177.66 8.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.701 -1.222 . . . . 25.0 107.701 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.39 155.74 27.14 Favored Glycine 0 N--CA 1.452 -0.247 0 N-CA-C 106.24 -2.744 . . . . 25.0 106.24 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -82.21 139.46 34.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.195 0.998 . . . . 25.0 108.873 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.73 166.86 27.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -126.17 149.35 49.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.76 -175.43 37.46 Favored Glycine 0 C--O 1.224 -0.507 0 N-CA-C 108.81 -1.716 . . . . 25.0 108.81 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.09 157.97 41.2 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.509 -0.922 . . . . 25.0 108.509 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -167.15 177.31 6.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 101.514 -3.514 . . . . 25.0 101.514 173.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -136.53 159.85 40.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.2 tp -116.86 131.09 57.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -121.77 157.84 30.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.7 m -109.26 138.61 45.35 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.04 125.93 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -111.57 124.53 52.48 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.089 -1.819 . . . . 25.0 106.089 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.5 m -111.35 116.58 31.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.45 129.86 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.226 -0.443 . . . . 25.0 110.471 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.405 ' HD2' ' HB2' ' A' ' 113' ' ' SER . 93.4 mtt180 -114.34 149.97 35.25 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -61.05 -28.02 68.76 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.89 20.31 4.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.983 -0.553 . . . . 25.0 112.018 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.91 23.01 7.72 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.405 ' HB2' ' HD2' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -83.89 26.1 0.75 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.487 1.115 . . . . 25.0 111.305 176.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -72.38 152.84 41.78 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.628 -1.169 . . . . 25.0 112.353 -168.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.2 160.48 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 -172.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -138.81 150.75 46.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -157.61 174.23 15.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -123.5 151.45 42.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -133.59 145.76 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 25.0 110.749 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -102.32 131.99 48.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 m -146.08 166.08 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.89 166.22 15.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.986 -1.487 . . . . 25.0 106.986 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.83 95.92 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.883 -0.511 . . . . 25.0 110.38 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -91.21 16.83 9.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.623 0.725 . . . . 25.0 112.427 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.19 131.7 46.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -66.72 150.88 48.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.69 0.281 . . . . 25.0 111.504 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -62.75 -37.35 86.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 172.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.43 -34.11 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.264 0.554 . . . . 25.0 110.933 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.34 -40.45 51.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.35 -43.71 98.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -27.87 68.0 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.813 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.88 -37.24 64.78 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.44 -45.62 90.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.365 . . . . 25.0 110.892 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 21.0 p -72.19 -25.39 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.597 -0.841 . . . . 25.0 111.198 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.43 -42.38 96.05 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -44.91 91.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 25.0 111.779 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -68.58 -35.27 77.14 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.0 p -92.52 -17.97 23.77 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.75 32.97 79.1 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.913 -0.66 . . . . 25.0 114.495 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.0 157.78 42.47 Favored Pre-proline 0 N--CA 1.469 0.487 0 CA-C-N 117.247 0.523 . . . . 25.0 110.661 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.97 113.99 3.84 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 114.508 -3.195 . . . . 25.0 108.954 165.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.37 -22.98 67.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.287 -0.883 . . . . 25.0 110.805 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.28 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.609 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -97.58 15.11 24.32 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.904 0.383 . . . . 25.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.6 p -135.43 166.89 22.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.545 0.688 . . . . 25.0 112.315 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -133.48 151.98 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 105.874 -1.899 . . . . 25.0 105.874 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.521 HG23 ' HB2' ' A' ' 154' ' ' LEU . 9.4 tt -124.1 133.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 -177.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.0 t -124.62 137.64 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.642 -0.708 . . . . 25.0 111.364 -168.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -137.94 140.36 40.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.5 43.16 27.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.123 0.487 . . . . 25.0 110.833 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 61.72 5.76 1.4 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.872 1.804 . . . . 25.0 115.872 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -117.98 144.37 34.54 Favored Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 121.694 -0.629 . . . . 25.0 110.826 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.67 146.5 49.01 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 116.071 -2.153 . . . . 25.0 112.58 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' A' ' 147' ' ' ILE . 14.0 mt -92.72 83.66 4.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.917 -1.038 . . . . 25.0 109.02 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.2 p -104.43 -18.31 14.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.55 80.66 7.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.376 -0.972 . . . . 25.0 108.376 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.71 -12.55 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 -170.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.17 -25.36 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.578 0.704 . . . . 25.0 109.861 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -75.58 148.61 38.71 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.274 0.559 . . . . 25.0 111.896 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 64.6 p -81.53 163.06 22.94 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 171.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.59 -30.04 70.72 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 121.15 0.5 . . . . 25.0 111.508 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.06 -30.21 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.432 -0.349 . . . . 25.0 111.117 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.1 t -69.86 -16.56 63.27 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.118 -0.364 . . . . 25.0 111.587 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -101.47 -6.84 23.45 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.37 27.8 46.75 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 119.36 -0.689 . . . . 25.0 113.027 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.38 86.42 0.42 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.108 0.954 . . . . 25.0 110.267 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -71.95 158.61 35.7 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.22 -0.9 . . . . 25.0 109.0 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -59.53 132.41 53.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.8 -13.67 65.9 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.452 -0.794 . . . . 25.0 113.801 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -64.99 149.38 49.92 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 118.202 1.001 . . . . 25.0 109.637 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.5 136.28 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.787 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 29.0 m -113.6 149.97 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 61.6 mt -117.13 105.92 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 tt -86.28 136.2 33.25 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.869 -1.9 . . . . 25.0 105.869 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -127.82 117.67 22.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.206 -1.219 0 CA-C-O 124.775 2.226 . . . . 25.0 110.41 178.193 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 122.535 1.159 . . . . 25.0 113.337 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.13 166.6 26.65 Favored Glycine 0 C--N 1.337 0.635 0 N-CA-C 106.83 -2.508 . . . . 25.0 106.83 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -130.2 132.67 46.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.997 0.899 . . . . 25.0 110.35 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -132.45 11.67 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -129.29 146.31 51.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -135.86 160.34 38.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.271 . . . . 25.0 111.108 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -87.27 149.51 24.51 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.495 -0.928 . . . . 25.0 108.495 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -131.56 177.01 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 14.5 m80 59.73 38.69 21.59 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.354 0.661 . . . . 25.0 112.608 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -130.03 134.49 47.44 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -152.09 142.59 22.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.992 -0.744 . . . . 25.0 108.992 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -151.1 130.56 12.93 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.8 m -146.15 159.67 42.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.4 t -154.03 155.43 35.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.339 -1.726 . . . . 25.0 106.339 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.89 82.65 0.07 OUTLIER Glycine 0 C--O 1.223 -0.554 0 N-CA-C 111.294 -0.723 . . . . 25.0 111.294 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -84.5 144.6 28.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 84.8 mt -132.29 128.76 59.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 105.28 -2.119 . . . . 25.0 105.28 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -146.79 161.31 40.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.02 -173.89 31.13 Favored Glycine 0 C--O 1.228 -0.266 0 N-CA-C 110.154 -1.178 . . . . 25.0 110.154 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -90.93 137.59 32.25 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -145.26 170.06 17.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 48.6 mtm -98.94 160.05 14.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.17 124.75 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.91 154.06 36.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.7 m -106.28 135.67 47.35 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.0 127.57 75.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.623 -1.251 . . . . 25.0 107.623 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.86 110.33 20.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.0 t -97.52 119.11 35.49 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.7 t -105.88 123.85 60.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 120.926 0.393 . . . . 25.0 111.214 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -107.32 144.03 34.75 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -63.74 -19.3 64.85 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -91.91 22.93 3.93 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 123.55 0.74 . . . . 25.0 111.441 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt 55.59 23.43 6.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.395 1.078 . . . . 25.0 113.484 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.53 25.65 2.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.932 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.25 149.46 44.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.8 -1.091 . . . . 25.0 111.013 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.16 156.9 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -133.3 148.58 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.77 168.36 25.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.2 m -115.33 146.2 41.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.97 142.66 50.58 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -101.67 127.36 48.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.102 -1.444 . . . . 25.0 107.102 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -140.67 160.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.01 166.26 22.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.81 99.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 25.0 110.553 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -98.7 19.52 14.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.633 0.73 . . . . 25.0 111.51 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -60.74 133.1 55.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.6 . . . . 25.0 110.795 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.81 145.89 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -61.79 -37.0 82.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 173.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -57.55 -47.98 80.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.528 . . . . 25.0 110.604 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.0 -29.78 64.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.09 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.723 -0.61 . . . . 25.0 111.328 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -64.87 -41.73 95.42 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.14 93.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.364 -0.834 . . . . 25.0 110.812 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.61 -45.82 88.57 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.085 -0.384 . . . . 25.0 111.36 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.4 p -70.99 -25.46 62.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.447 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.77 -46.68 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.49 -45.4 83.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 25.0 112.282 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.63 -32.29 72.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.187 0.518 . . . . 25.0 111.829 -176.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.4 t -88.37 -25.56 22.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.99 32.7 58.4 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.981 -0.628 . . . . 25.0 114.207 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.3 pt -128.6 151.78 77.48 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 122.489 -0.418 . . . . 25.0 109.901 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -68.15 133.69 29.43 Favored 'Trans proline' 0 C--O 1.24 0.6 0 C-N-CA 116.827 -1.648 . . . . 25.0 113.48 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.74 67.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.96 -0.462 . . . . 25.0 111.082 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.26 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.951 0.405 . . . . 25.0 111.824 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.12 9.87 41.55 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.068 0.461 . . . . 25.0 110.214 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.5 m -128.26 148.31 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -170.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -128.18 146.94 50.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.381 -1.34 . . . . 25.0 107.381 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -121.34 133.36 68.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.1 t -135.54 135.48 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 123.79 0.836 . . . . 25.0 110.701 -169.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -138.39 139.01 38.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.603 -1.629 . . . . 25.0 106.603 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 41.83 28.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.124 0.488 . . . . 25.0 110.537 -175.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.61 12.66 2.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.378 1.622 . . . . 25.0 115.378 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -122.08 141.4 34.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.576 -0.703 . . . . 25.0 110.785 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.9 147.25 92.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 116.561 -1.826 . . . . 25.0 113.504 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 127' ' ' LEU . 57.6 mt -92.95 118.48 31.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 176.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.9 p -127.74 -25.15 3.15 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 117.427 2.38 . . . . 25.0 117.427 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -86.43 97.39 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.781 0.719 . . . . 25.0 110.231 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -63.88 -21.87 66.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -82.96 -20.01 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.23 0.538 . . . . 25.0 111.945 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -76.07 145.11 40.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.734 -0.386 . . . . 25.0 110.009 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.4 p -81.99 163.14 22.35 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.295 -1.002 . . . . 25.0 108.295 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.916 0.389 . . . . 25.0 111.323 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.21 71.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.258 -0.276 . . . . 25.0 110.695 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.0 m -69.47 -16.52 63.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.87 0.322 . . . . 25.0 111.87 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -99.97 -8.08 24.36 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.022 0.439 . . . . 25.0 109.92 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.39 19.46 56.87 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-O 119.074 -0.848 . . . . 25.0 113.694 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.94 83.4 1.23 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.332 1.066 . . . . 25.0 109.72 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.57 162.01 27.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.365 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -57.25 130.25 45.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.88 60.93 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.49 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -72.78 161.76 30.33 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-N 118.593 1.197 . . . . 25.0 111.288 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 31.0 t -123.11 131.01 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.403 0.62 . . . . 25.0 111.703 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 39.5 t -111.61 137.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.74 127.21 60.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.3 tt -114.69 133.97 55.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 105.478 -2.045 . . . . 25.0 105.478 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -126.98 121.1 30.74 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.95 -0.469 . . . . 25.0 109.843 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? . . . . . 0 N--CA 1.472 0.635 0 CA-C-O 123.847 1.784 . . . . 25.0 110.802 179.652 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.807 0.813 . . . . 25.0 112.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.54 18.01 71.96 Favored Glycine 0 C--N 1.341 0.856 0 O-C-N 121.59 -0.693 . . . . 25.0 113.099 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -114.64 139.48 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -116.68 67.79 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.359 0.6 . . . . 25.0 112.18 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -104.67 132.74 50.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 176.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -126.69 133.04 51.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -140.54 77.85 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.942 0.401 . . . . 25.0 110.71 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -71.18 -46.92 60.33 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 120.942 -0.303 . . . . 25.0 111.753 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 52.72 50.01 19.04 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 50.4 m80 63.61 -153.24 0.32 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.072 0.949 . . . . 25.0 110.625 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -159.29 178.81 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -134.3 163.62 29.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 104.892 -2.262 . . . . 25.0 104.892 172.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 p -146.13 -61.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.98 0.175 . . . . 25.0 110.577 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.1 m 60.82 -176.18 0.11 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.813 0.845 . . . . 25.0 111.137 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.64 11.94 80.5 Favored Glycine 0 C--O 1.223 -0.59 0 C-N-CA 120.789 -0.719 . . . . 25.0 113.591 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -80.12 76.58 6.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.163 0.506 . . . . 25.0 110.015 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.6 pt -137.81 165.12 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.15 -1.056 . . . . 25.0 108.15 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.63 162.48 37.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 104.318 -2.475 . . . . 25.0 104.318 175.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.76 23.48 0.07 OUTLIER Glycine 0 C--O 1.226 -0.388 0 C-N-CA 121.184 -0.531 . . . . 25.0 113.853 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -112.39 16.35 19.95 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.754 0.777 . . . . 25.0 111.443 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -120.02 161.68 20.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -133.36 163.8 28.52 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -110.44 120.92 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 25.0 111.075 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.85 144.04 43.68 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.59 137.22 34.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.08 128.58 73.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -121.07 107.29 12.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.0 132.82 44.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.806 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 134.7 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.283 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -113.5 154.83 26.42 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 171.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -62.9 -32.17 73.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.92 0.391 . . . . 25.0 109.984 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.24 18.35 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.606 1.162 . . . . 25.0 113.942 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.0 mt 59.46 26.67 15.66 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.68 25.69 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.418 0.628 . . . . 25.0 110.645 175.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.34 152.35 42.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.039 -0.982 . . . . 25.0 113.492 -171.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 p -151.84 152.78 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.562 -1.273 . . . . 25.0 107.562 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -135.21 141.88 45.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -155.96 -177.82 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.9 m -134.23 151.77 51.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.275 -0.265 . . . . 25.0 110.524 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.69 146.86 50.43 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.117 0.567 . . . . 25.0 110.275 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -105.94 121.82 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.48 164.51 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 122.831 0.452 . . . . 25.0 110.24 -173.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.24 157.96 32.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.18 70.7 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.531 -0.731 . . . . 25.0 109.539 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.75 4.6 46.88 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.714 -0.676 . . . . 25.0 112.466 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.23 131.23 48.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.01 150.52 47.57 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.33 -29.28 70.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.841 -0.344 . . . . 25.0 110.523 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.21 -39.7 93.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.544 . . . . 25.0 110.536 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.63 -36.3 57.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.769 0.795 . . . . 25.0 109.171 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -61.34 -45.59 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.95 -0.469 . . . . 25.0 111.752 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -66.47 -27.93 68.18 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.338 -0.545 . . . . 25.0 110.81 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.34 74.55 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.39 -37.37 85.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.99 -0.444 . . . . 25.0 109.947 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 73.5 m -63.98 -40.67 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.262 -0.273 . . . . 25.0 110.262 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.63 -40.15 93.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.96 -0.385 . . . . 25.0 109.96 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.96 -45.98 91.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.71 -35.64 67.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.075 0.464 . . . . 25.0 112.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.0 m -88.59 -25.5 22.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.746 1.387 . . . . 25.0 114.746 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.73 32.77 85.31 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.011 -0.614 . . . . 25.0 113.311 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.83 146.29 34.78 Favored Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 122.288 -0.537 . . . . 25.0 111.869 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.42 122.36 9.13 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 116.862 -1.625 . . . . 25.0 112.152 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.18 72.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 25.0 111.392 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.51 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -103.8 15.98 27.45 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.078 0.466 . . . . 25.0 110.658 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.8 p -133.66 163.27 29.82 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.881 1.437 . . . . 25.0 114.881 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -132.79 153.68 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 tt -124.14 132.21 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.7 t -134.14 136.52 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.805 0.842 . . . . 25.0 110.71 -168.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -140.79 143.63 34.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.04 40.05 27.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.416 0.627 . . . . 25.0 110.732 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 58.24 17.66 4.8 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.002 1.482 . . . . 25.0 115.002 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -128.47 143.82 49.72 Favored Pre-proline 0 N--CA 1.468 0.459 0 O-C-N 121.755 -0.59 . . . . 25.0 110.699 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -71.61 145.67 47.42 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 116.332 -1.979 . . . . 25.0 112.319 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.4 mt -88.42 78.78 7.85 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 53.7 p -76.3 -29.74 57.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -172.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -94.69 101.62 13.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -84.88 -9.6 57.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -79.84 -16.78 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.593 0.711 . . . . 25.0 110.295 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 23.0 mtt85 -74.1 148.43 41.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.743 -0.662 . . . . 25.0 109.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -79.97 164.74 23.25 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.78 -38.89 86.84 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 121.267 0.556 . . . . 25.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.16 -30.24 66.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.017 -0.538 . . . . 25.0 112.251 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.7 t -70.98 -17.99 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -101.05 -6.33 24.54 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.646 -0.501 . . . . 25.0 109.646 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.88 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.6 83.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -88.66 172.13 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.268 -0.878 . . . . 25.0 112.499 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 128.22 32.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.942 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.5 -15.81 58.38 Favored Glycine 0 CA--C 1.516 0.152 0 CA-C-N 115.304 -0.862 . . . . 25.0 114.316 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.97 155.98 38.27 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 118.472 1.136 . . . . 25.0 111.076 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 43.1 t -118.09 127.66 75.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.374 -0.83 . . . . 25.0 109.541 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.2 t -108.76 133.03 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.86 125.86 64.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.3 tt -113.44 138.23 50.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.75 122.98 38.99 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 123.294 1.521 . . . . 25.0 110.653 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 124.932 2.301 . . . . 25.0 112.426 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.35 165.7 14.17 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 112.847 -1.979 . . . . 25.0 111.105 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -162.01 163.08 29.06 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -152.03 138.8 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.055 -0.35 . . . . 25.0 110.055 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -156.71 139.45 15.13 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -151.82 152.24 32.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -157.15 131.98 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -142.16 156.93 45.37 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.252 -0.648 . . . . 25.0 109.252 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -152.22 137.66 17.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.256 -1.387 . . . . 25.0 107.256 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -81.59 -31.57 32.47 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 52.78 61.39 3.21 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -66.32 149.94 49.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.2 t -149.58 143.14 25.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.6 m -147.59 162.51 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.0 -158.39 14.31 Favored Glycine 0 C--O 1.225 -0.417 0 N-CA-C 109.774 -1.33 . . . . 25.0 109.774 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 56.52 56.94 5.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 pt -131.01 160.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -108.97 162.02 14.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.12 178.84 41.63 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 108.96 -1.656 . . . . 25.0 108.96 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -140.26 117.05 10.96 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -141.24 176.68 8.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 105.514 -2.032 . . . . 25.0 105.514 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -126.32 172.88 9.75 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.1 tp -125.51 130.46 51.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.194 -0.669 . . . . 25.0 109.194 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -119.43 158.74 25.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -110.88 142.56 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.05 132.32 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -119.48 111.37 18.03 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.185 -1.042 . . . . 25.0 108.185 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.5 t -97.4 122.68 40.73 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.22 -1.03 . . . . 25.0 108.22 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.47 124.36 67.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-O 121.29 0.567 . . . . 25.0 111.62 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -105.42 147.1 28.62 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 105.915 -1.883 . . . . 25.0 105.915 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 -70.76 -19.55 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.807 -0.357 . . . . 25.0 110.774 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -92.22 27.46 2.19 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.152 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.3 mt 55.22 34.76 23.41 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 122.305 1.05 . . . . 25.0 112.967 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 25.76 10.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.504 -1.225 . . . . 25.0 111.429 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 -72.23 154.25 41.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.945 0.878 . . . . 25.0 112.608 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.26 152.44 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.478 -1.675 . . . . 25.0 106.478 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.0 t -136.65 146.63 46.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -156.43 173.66 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.0 m -121.13 150.96 40.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -129.1 142.21 50.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.269 -0.423 . . . . 25.0 109.872 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -100.65 127.04 47.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.19 161.11 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -77.37 161.31 28.13 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.53 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.475 0.655 . . . . 25.0 109.998 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.0 15.68 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.616 0.722 . . . . 25.0 111.631 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.88 132.03 46.08 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 147.13 53.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.695 0.283 . . . . 25.0 111.275 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 154' ' ' LEU . 1.4 mm? -63.46 -30.88 71.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.649 0.261 . . . . 25.0 110.789 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.892 0.377 . . . . 25.0 110.67 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -77.9 -32.44 51.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.599 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.34 -47.93 83.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.808 -0.558 . . . . 25.0 110.941 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -65.72 -27.86 68.63 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 120.396 -0.522 . . . . 25.0 111.579 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.54 74.25 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.092 0.472 . . . . 25.0 109.977 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.12 -38.6 88.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.65 -37.96 89.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.396 -0.366 . . . . 25.0 111.075 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.4 -50.36 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.674 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.11 -33.74 70.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.1 t -89.17 -18.22 27.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.68 32.97 82.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 115.477 0.951 . . . . 25.0 115.477 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.6 pt -134.43 147.52 63.82 Favored Pre-proline 0 N--CA 1.469 0.504 0 CA-C-N 117.177 0.488 . . . . 25.0 110.769 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.61 119.53 6.65 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.217 -1.389 . . . . 25.0 112.524 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.47 -26.5 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.92 0.39 . . . . 25.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.37 67.86 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.055 -0.52 . . . . 25.0 112.246 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -98.13 14.83 26.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.91 0.386 . . . . 25.0 110.978 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.7 p -134.23 165.8 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 -175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -131.13 148.91 52.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 tt -121.69 136.49 58.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.571 0.701 . . . . 25.0 109.917 -176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.8 p -139.72 143.96 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -141.17 134.79 30.07 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 45.29 24.6 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 123.472 0.483 . . . . 25.0 110.093 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 60.21 6.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.747 1.758 . . . . 25.0 115.747 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -116.05 133.31 22.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.99 149.25 46.54 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.875 -1.617 . . . . 25.0 113.855 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 127' ' ' LEU . 75.8 mt -100.59 53.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -25.09 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.47 89.18 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.191 0.996 . . . . 25.0 108.432 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -70.9 -13.33 61.98 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -81.31 -14.71 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 25.0 111.415 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -76.89 152.92 35.19 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 120.834 0.349 . . . . 25.0 110.351 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 12.0 m -80.7 162.81 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.92 -38.3 87.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.45 0.643 . . . . 25.0 109.797 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.08 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.934 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.0 m -69.37 -17.24 63.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -101.75 -3.97 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 25.0 110.061 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.35 21.58 72.58 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.516 -0.634 . . . . 25.0 111.516 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.59 82.57 2.02 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 121.419 0.628 . . . . 25.0 109.504 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.16 171.05 14.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.948 -1.024 . . . . 25.0 111.371 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.69 129.59 37.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.141 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.56 -12.23 66.34 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 114.816 -1.084 . . . . 25.0 113.756 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -68.96 151.15 46.9 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 118.399 1.1 . . . . 25.0 110.499 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.68 129.31 72.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.421 -0.809 . . . . 25.0 109.531 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.07 154.97 7.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.3 mt -122.32 127.41 75.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -117.0 136.12 53.18 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -120.71 120.36 35.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.196 -0.298 . . . . 25.0 110.196 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--O 1.208 -1.122 0 CA-C-O 124.419 2.057 . . . . 25.0 111.236 179.281 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.506 2.333 0 CA-C-O 124.018 1.866 . . . . 25.0 114.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.76 159.16 29.66 Favored Glycine 0 CA--C 1.536 1.364 0 O-C-N 118.462 -2.649 . . . . 25.0 112.042 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -150.5 139.66 21.17 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.81 1.805 . . . . 25.0 110.975 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -146.73 145.63 30.04 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -152.37 139.01 18.75 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 119.826 -0.75 . . . . 25.0 109.022 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -161.15 61.71 0.28 Allowed 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 105.753 -1.943 . . . . 25.0 105.753 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -66.09 153.43 42.33 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.823 -1.173 . . . . 25.0 112.8 -173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -91.08 145.06 25.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 107.748 -1.205 . . . . 25.0 107.748 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -123.79 141.96 51.55 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.73 88.47 2.06 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.87 1.214 . . . . 25.0 112.254 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -129.94 147.39 51.69 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 103.567 -2.753 . . . . 25.0 103.567 173.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -75.06 -42.51 56.81 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 124.653 1.221 . . . . 25.0 114.162 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m 61.43 173.02 0.11 Allowed 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 116.035 1.865 . . . . 25.0 116.035 171.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t 51.07 -164.66 0.05 OUTLIER 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 113.623 -1.626 . . . . 25.0 113.037 -175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -107.35 -167.82 22.01 Favored Glycine 0 C--O 1.203 -1.815 0 N-CA-C 109.737 -1.345 . . . . 25.0 109.737 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -141.59 108.38 5.39 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 118.425 -0.798 . . . . 25.0 110.182 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.7 mm 58.73 60.92 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.623 0 O-C-N 125.973 2.046 . . . . 25.0 114.064 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -132.19 146.78 52.25 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.18 -159.8 32.34 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 109.827 -1.309 . . . . 25.0 109.827 -172.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -100.59 107.64 19.36 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 123.573 1.654 . . . . 25.0 109.2 174.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -136.79 159.66 41.19 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 113.567 -1.651 . . . . 25.0 109.43 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -142.93 156.89 44.97 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -110.46 125.85 53.72 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.34 158.39 24.49 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 m -108.77 134.54 51.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.394 -0.821 . . . . 25.0 109.249 173.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.3 t -122.58 122.45 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.946 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.06 119.01 38.22 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.6 m -105.7 127.14 52.89 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 120.052 -1.655 . . . . 25.0 107.261 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.8 t -117.19 138.33 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.927 0.767 . . . . 25.0 112.028 -173.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -123.0 152.4 40.93 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.82 -31.21 71.43 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.29 25.94 1.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.622 . . . . 25.0 109.348 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 114' ' ' GLU . 50.9 mt 57.86 24.87 11.36 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.54 23.55 0.4 Allowed 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.052 0.941 . . . . 25.0 108.586 176.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 112' ' ' LEU . 10.8 pt-20 -71.56 155.12 40.91 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 126.132 1.773 . . . . 25.0 112.92 -171.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.91 140.73 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 106.061 -1.829 . . . . 25.0 106.061 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -124.28 147.77 47.87 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 175.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -155.26 175.19 14.17 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 m -120.99 147.55 45.34 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.3 mt -124.08 148.43 47.11 Favored 'General case' 0 CA--C 1.472 -2.024 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -98.48 130.88 45.08 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 106.256 -1.757 . . . . 25.0 106.256 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.98 161.52 35.65 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 CA-C-O 121.742 0.782 . . . . 25.0 112.412 174.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -83.36 161.41 21.39 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.41 -32.79 74.56 Favored 'General case' 0 C--O 1.199 -1.56 0 O-C-N 121.543 -0.723 . . . . 25.0 111.243 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.36 17.82 10.7 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.645 0.778 . . . . 25.0 112.659 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -75.45 134.5 40.84 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 120.147 -0.621 . . . . 25.0 110.175 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -75.91 156.32 34.37 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.446 1.593 . . . . 25.0 111.695 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.46 -28.99 67.53 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.436 ' HB2' HD22 ' A' ' 157' ' ' ASN . 80.0 t60 -64.34 -47.67 78.49 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.687 1.867 . . . . 25.0 111.564 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -70.45 -37.34 74.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.584 -1.189 . . . . 25.0 107.812 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.29 -49.61 76.94 Favored 'General case' 0 C--O 1.203 -1.369 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -62.75 -28.89 70.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.687 -1.149 . . . . 25.0 111.873 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.14 74.66 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -66.7 -40.39 88.45 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 114.935 -1.03 . . . . 25.0 112.841 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.0 p -74.29 -27.31 60.67 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 120.304 -1.497 . . . . 25.0 111.424 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.48 -43.16 86.16 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.18 -46.6 88.22 Favored 'General case' 0 CA--C 1.482 -1.672 0 C-N-CA 123.761 0.824 . . . . 25.0 111.317 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.98 -39.76 87.26 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.27 0.557 . . . . 25.0 112.428 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.5 t -88.42 -18.71 27.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.14 32.32 58.54 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 116.426 1.33 . . . . 25.0 116.426 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.0 pt -104.66 153.97 38.84 Favored Pre-proline 0 N--CA 1.492 1.64 0 N-CA-C 116.717 2.118 . . . . 25.0 116.717 -170.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.93 122.5 9.62 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 115.928 -2.248 . . . . 25.0 110.093 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.19 -26.59 68.43 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.771 -0.58 . . . . 25.0 112.111 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.44 52.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -101.2 18.49 19.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.762 1.289 . . . . 25.0 111.275 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 m -137.95 160.41 39.39 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-O 123.598 1.666 . . . . 25.0 112.901 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -132.8 153.34 51.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 126.346 1.858 . . . . 25.0 106.36 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -128.93 133.63 65.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 O-C-N 121.566 -0.709 . . . . 25.0 110.039 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.6 t -135.96 140.09 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.166 0.986 . . . . 25.0 110.556 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.49 141.96 41.51 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.62 37.91 21.15 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.575 1.179 . . . . 25.0 110.991 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.14 5.11 2.85 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -112.37 142.77 27.58 Favored Pre-proline 0 C--O 1.255 1.345 0 O-C-N 121.068 -1.02 . . . . 25.0 109.42 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.47 144.7 56.45 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.452 0.768 . . . . 25.0 112.53 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.09 94.97 7.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.663 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.7 p -110.96 -30.79 7.37 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 116.879 2.178 . . . . 25.0 116.879 -172.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.03 88.16 5.39 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.436 HD22 ' HB2' ' A' ' 128' ' ' HIS . 5.4 p-10 -66.8 -16.47 64.29 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 116.102 1.89 . . . . 25.0 116.102 -172.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -83.47 -18.42 38.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.256 1.503 . . . . 25.0 114.892 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -74.01 148.18 42.26 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.029 -1.441 . . . . 25.0 111.016 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 51.1 m -77.75 151.04 34.28 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 113.799 -1.546 . . . . 25.0 109.083 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.97 -34.91 79.19 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.795 0.807 . . . . 25.0 111.617 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.02 -27.06 65.09 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.736 -1.12 . . . . 25.0 110.204 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -16.42 60.31 Favored 'General case' 0 CA--C 1.553 1.095 0 O-C-N 121.455 -0.778 . . . . 25.0 111.547 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.47 -2.01 57.91 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.712 -0.618 . . . . 25.0 109.904 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 71.26 22.39 78.54 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 110.141 -1.184 . . . . 25.0 110.141 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.05 92.13 0.93 Allowed 'General case' 0 C--O 1.248 1.023 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -99.03 168.62 9.97 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.112 1.507 . . . . 25.0 111.183 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.82 119.57 4.76 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 115.478 -0.783 . . . . 25.0 112.477 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 105.83 -5.81 40.24 Favored Glycine 0 C--O 1.207 -1.592 0 CA-C-N 115.956 -0.566 . . . . 25.0 113.676 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -74.41 150.44 39.99 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 125.405 2.526 . . . . 25.0 111.256 173.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.3 128.05 72.65 Favored 'Isoleucine or valine' 0 C--O 1.256 1.435 0 CA-C-N 113.0 -1.909 . . . . 25.0 108.643 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.7 t -111.21 130.36 64.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 106.065 -1.828 . . . . 25.0 106.065 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.23 129.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 122.102 0.954 . . . . 25.0 108.61 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.23 136.84 52.78 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 105.558 -2.016 . . . . 25.0 105.558 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -119.42 108.97 15.21 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.827 0.822 . . . . 25.0 109.203 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 122.233 1.016 . . . . 25.0 109.375 177.659 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 124.687 2.184 . . . . 25.0 112.686 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.26 168.58 41.35 Favored Glycine 0 C--N 1.333 0.417 0 CA-C-N 113.514 -1.675 . . . . 25.0 110.333 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.09 137.89 31.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.975 0.388 . . . . 25.0 110.209 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -70.82 140.51 51.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -81.68 172.39 13.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.652 -0.249 . . . . 25.0 110.756 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -138.33 147.36 43.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -74.83 173.57 10.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.972 0.415 . . . . 25.0 111.152 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -117.91 142.57 47.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.463 -1.68 . . . . 25.0 106.463 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -75.38 162.07 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.842 0.353 . . . . 25.0 110.428 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -68.51 -44.06 75.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.486 1.291 . . . . 25.0 114.486 -173.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 m80 53.52 22.41 2.94 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -66.08 -27.73 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.304 0.854 . . . . 25.0 113.304 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m 61.67 -178.09 0.12 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.7 m -156.31 167.11 31.45 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.23 -173.14 39.37 Favored Glycine 0 C--O 1.228 -0.251 0 N-CA-C 109.638 -1.385 . . . . 25.0 109.638 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -146.3 159.48 43.3 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.229 -1.397 . . . . 25.0 107.229 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.1 pt -121.82 -1.58 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.19 0.811 . . . . 25.0 113.19 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 53.14 -145.37 0.59 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.057 0.543 . . . . 25.0 111.379 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.97 -176.57 17.62 Favored Glycine 0 C--O 1.222 -0.618 0 C-N-CA 121.61 -0.329 . . . . 25.0 112.287 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -84.99 42.78 0.95 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -110.17 160.31 16.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.352 -1.722 . . . . 25.0 106.352 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.9 167.31 30.14 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.271 0.357 . . . . 25.0 110.092 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.0 tp -109.01 133.12 53.41 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.225 0.61 . . . . 25.0 109.637 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.8 mt -122.93 146.08 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.2 m -104.88 135.49 46.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.226 -1.028 . . . . 25.0 108.226 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.0 129.17 73.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.23 122.26 46.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.42 116.61 32.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.16 116.66 45.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.662 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -92.73 146.3 23.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -61.68 -29.6 70.19 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.497 0.665 . . . . 25.0 110.345 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.31 13.75 4.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.787 -1.097 . . . . 25.0 113.167 -176.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.0 mt 58.66 27.89 16.45 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 122.293 1.044 . . . . 25.0 112.141 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 m -90.33 25.71 2.15 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.575 -1.193 . . . . 25.0 109.728 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.39 155.54 40.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.067 -0.969 . . . . 25.0 112.919 -166.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.43 157.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -140.3 150.17 43.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 174.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -157.85 174.42 15.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 -176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.49 149.0 52.36 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.93 147.15 49.57 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.851 -0.425 . . . . 25.0 109.851 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -104.75 124.45 49.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.343 -1.355 . . . . 25.0 107.343 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.9 m -143.0 165.39 15.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.947 -0.569 . . . . 25.0 109.778 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -79.26 152.69 30.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.827 -1.546 . . . . 25.0 106.827 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.0 74.17 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.709 0.766 . . . . 25.0 109.836 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -93.08 9.93 33.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 25.0 112.385 -176.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.39 137.92 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.59 144.14 55.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.36 -0.213 . . . . 25.0 111.279 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.5 -32.49 73.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -54.95 -48.27 73.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 25.0 111.56 175.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -77.9 -31.01 50.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.803 0.335 . . . . 25.0 111.035 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.83 -0.544 . . . . 25.0 111.59 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -66.6 -27.98 68.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.098 -0.641 . . . . 25.0 110.135 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.06 -38.8 69.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 110.182 -0.303 . . . . 25.0 110.182 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.58 -41.0 96.55 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.102 -0.499 . . . . 25.0 110.758 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.87 -44.62 96.44 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.835 0.454 . . . . 25.0 109.874 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.65 -47.28 76.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -71.29 -35.82 71.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 25.0 111.63 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.2 t -82.12 -29.79 31.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.348 . . . . 25.0 111.889 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.11 83.84 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.728 -0.749 . . . . 25.0 113.582 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 29.4 pt -124.05 140.24 34.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -63.37 134.01 43.02 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 116.942 -1.572 . . . . 25.0 115.324 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.91 68.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.44 -24.69 66.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.868 -0.605 . . . . 25.0 112.436 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.3 10.25 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.901 0.382 . . . . 25.0 111.161 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.0 p -142.56 173.49 11.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.152 0.501 . . . . 25.0 111.797 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -127.47 135.9 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -102.07 132.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.1 t -135.96 136.18 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.118 0.567 . . . . 25.0 111.241 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -143.86 143.44 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.58 42.09 29.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.202 0.601 . . . . 25.0 111.212 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 59.31 16.95 5.4 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.682 1.364 . . . . 25.0 114.682 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -126.49 136.96 29.42 Favored Pre-proline 0 N--CA 1.467 0.416 0 O-C-N 121.835 -0.541 . . . . 25.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.22 146.27 45.53 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 115.532 -2.512 . . . . 25.0 111.473 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 72.8 mt -93.1 81.91 4.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.3 p -97.87 -19.76 17.92 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.75 1.018 . . . . 25.0 113.75 -173.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -85.57 97.32 10.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -73.83 -18.41 60.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -81.51 -13.46 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.069 0.461 . . . . 25.0 111.456 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -75.47 146.59 40.52 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 120.897 0.379 . . . . 25.0 110.71 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.4 p -81.71 165.36 21.05 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.19 -36.37 83.85 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.001 -0.437 . . . . 25.0 110.718 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.62 -30.12 69.66 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.129 -0.357 . . . . 25.0 111.403 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 45.1 m -71.27 -16.55 62.48 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -97.46 -10.46 25.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.736 0.303 . . . . 25.0 110.316 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.34 20.41 60.49 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 111.247 -0.741 . . . . 25.0 111.247 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.34 83.81 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.29 167.44 18.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.923 -1.035 . . . . 25.0 111.994 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -54.1 128.11 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.624 -0.717 . . . . 25.0 110.664 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.69 -10.73 68.63 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.577 -0.738 . . . . 25.0 114.364 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.26 149.53 50.2 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 118.312 1.056 . . . . 25.0 111.206 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 44.3 t -112.68 126.86 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.171 -0.922 . . . . 25.0 110.338 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.52 139.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.5 mt -118.08 118.42 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.37 0.605 . . . . 25.0 109.702 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 4.9 tt -101.93 138.33 39.04 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.61 -1.626 . . . . 25.0 106.61 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -126.95 122.37 34.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.065 -0.397 . . . . 25.0 110.981 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 124.267 1.984 . . . . 25.0 110.593 176.47 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 122.611 1.196 . . . . 25.0 113.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 150.93 171.98 19.57 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 110.517 -1.033 . . . . 25.0 110.517 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -154.42 157.26 38.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -149.73 170.18 19.31 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -140.1 110.87 6.82 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -122.83 108.67 13.27 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -140.26 118.01 11.67 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -152.38 143.0 22.79 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -137.97 -68.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 175.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 63.16 173.09 0.16 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.292 1.037 . . . . 25.0 111.202 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -136.61 -72.58 0.44 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.464 ' CG ' ' H ' ' A' ' 92' ' ' SER . 7.6 t-80 58.49 -165.2 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.252 0.621 . . . . 25.0 109.518 -175.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.464 ' H ' ' CG ' ' A' ' 91' ' ' HIS . 15.1 m 49.06 37.64 11.04 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 176.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.0 m -76.63 123.49 26.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.102 0.779 . . . . 25.0 113.102 -173.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.25 169.5 39.16 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 106.802 -2.519 . . . . 25.0 106.802 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -132.47 -6.11 3.31 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 117.913 0.857 . . . . 25.0 111.899 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.1 mt 55.01 50.42 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 122.442 1.115 . . . . 25.0 108.991 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.54 141.54 55.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.77 -1.105 . . . . 25.0 110.63 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.81 -169.74 28.58 Favored Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 109.266 -1.534 . . . . 25.0 109.266 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -146.69 105.91 3.9 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -136.87 167.73 20.91 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -123.24 163.84 19.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.4 tp -124.46 127.21 47.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.7 mt -120.77 143.44 48.81 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -97.72 143.54 28.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.672 -1.233 . . . . 25.0 107.672 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.12 125.64 69.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -112.15 108.17 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -100.29 117.52 34.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.246 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.0 t -106.02 131.33 55.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.907 0.384 . . . . 25.0 110.22 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -120.02 146.53 45.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 106.06 -1.829 . . . . 25.0 106.06 174.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -62.84 -23.32 67.23 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -92.25 30.22 1.51 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.056 0.455 . . . . 25.0 112.018 -176.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt 54.28 25.2 5.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.214 1.006 . . . . 25.0 112.286 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 m -92.02 25.49 2.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.094 -0.957 . . . . 25.0 109.724 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -72.32 154.69 40.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 25.0 111.883 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.8 p -152.6 155.62 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.5 t -137.0 147.37 46.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -155.53 175.67 13.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.758 -1.571 . . . . 25.0 106.758 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.2 m -129.42 148.81 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.45 148.6 49.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.143 -0.48 . . . . 25.0 109.915 -177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -99.29 129.4 45.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.67 166.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.367 -173.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -87.77 166.72 14.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 174.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.95 94.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.136 -0.353 . . . . 25.0 111.204 176.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -101.65 19.51 17.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.838 0.828 . . . . 25.0 111.657 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -59.97 128.55 37.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.632 -0.713 . . . . 25.0 109.648 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.43 142.37 57.6 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.563 -0.162 . . . . 25.0 110.563 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.07 -29.64 70.54 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.198 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.426 ' HB2' HD22 ' A' ' 157' ' ' ASN . 80.5 t60 -59.39 -41.67 89.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.078 0.466 . . . . 25.0 110.303 175.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -75.8 -40.18 55.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.264 0.554 . . . . 25.0 109.854 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.9 -47.07 88.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -67.14 -27.9 67.69 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.324 -0.55 . . . . 25.0 111.145 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -39.89 70.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.92 -39.45 94.6 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.1 m -62.82 -42.8 99.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.881 -0.327 . . . . 25.0 110.392 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.74 -41.69 98.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.735 0.302 . . . . 25.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.87 -46.1 90.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 25.0 111.745 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.63 -33.4 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.387 0.613 . . . . 25.0 111.123 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.5 m -81.86 -26.88 33.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.885 1.069 . . . . 25.0 113.885 -177.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 65.98 31.98 81.18 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.419 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.08 148.47 42.4 Favored Pre-proline 0 C--O 1.219 -0.535 0 O-C-N 122.401 -0.47 . . . . 25.0 110.463 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.31 125.99 11.86 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 116.455 -1.897 . . . . 25.0 112.555 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.01 -24.57 67.12 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.862 -0.524 . . . . 25.0 111.565 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.7 -25.31 66.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.727 0.299 . . . . 25.0 111.678 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -106.16 13.77 28.53 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 122.616 0.366 . . . . 25.0 110.917 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -137.74 153.75 49.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.798 1.777 . . . . 25.0 115.798 -170.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -131.87 154.39 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 tt -128.03 137.98 55.98 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.63 146.28 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.798 -0.637 . . . . 25.0 109.602 -171.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.31 42.13 25.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.061 0.458 . . . . 25.0 110.836 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 60.82 10.65 2.81 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.929 1.455 . . . . 25.0 114.929 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -113.46 134.19 22.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.01 150.66 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.402 -2.599 . . . . 25.0 112.053 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.14 54.28 2.75 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -22.2 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.821 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.25 76.76 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.296 -1.372 . . . . 25.0 107.296 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.426 HD22 ' HB2' ' A' ' 128' ' ' HIS . 4.4 p-10 -70.1 -9.42 55.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 -175.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -98.33 32.29 2.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.006 0.907 . . . . 25.0 110.068 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -129.38 152.83 48.51 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.109 -1.812 . . . . 25.0 106.109 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.2 p -84.97 167.58 15.76 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.113 0.482 . . . . 25.0 110.083 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.16 -34.65 75.38 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.465 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.62 68.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.299 -0.409 . . . . 25.0 111.217 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 31.8 t -71.09 -17.27 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -99.75 -6.77 26.48 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.71 25.49 69.68 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 110.155 -1.178 . . . . 25.0 110.155 -174.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.51 81.19 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.758 0.79 . . . . 25.0 109.361 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -76.5 160.39 29.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.408 -1.269 . . . . 25.0 112.251 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.75 121.98 9.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.032 -0.985 . . . . 25.0 108.91 171.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.24 -20.59 28.03 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.811 -0.631 . . . . 25.0 113.952 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.07 160.69 32.43 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 117.872 0.836 . . . . 25.0 111.645 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -128.1 138.6 54.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.173 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 30.5 m -112.14 159.2 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -120.59 129.24 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.5 tt -115.92 134.43 54.99 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 105.996 -1.853 . . . . 25.0 105.996 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -127.01 117.38 22.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.832 0.348 . . . . 25.0 110.719 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 123.966 1.841 . . . . 25.0 111.266 179.186 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 122.922 1.344 . . . . 25.0 113.531 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.83 172.41 44.26 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 108.301 -1.919 . . . . 25.0 108.301 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -152.95 164.36 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -139.57 173.12 11.87 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -147.82 154.65 40.73 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 104.829 -2.286 . . . . 25.0 104.829 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -137.7 171.12 14.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 -175.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -123.83 151.59 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -152.05 152.42 32.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -66.34 145.07 56.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -73.78 110.55 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.914 0.388 . . . . 25.0 110.757 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -72.27 133.22 44.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -153.07 176.89 11.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.024 -1.472 . . . . 25.0 107.024 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.5 t -144.79 158.44 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.149 -1.426 . . . . 25.0 107.149 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m -71.04 154.59 41.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.751 -0.462 . . . . 25.0 109.751 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -103.76 167.23 16.18 Favored Glycine 0 C--O 1.229 -0.185 0 N-CA-C 108.655 -1.778 . . . . 25.0 108.655 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -149.83 146.46 27.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.9 pt -132.76 159.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 105.558 -2.016 . . . . 25.0 105.558 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -142.44 159.79 41.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.13 175.54 44.1 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 106.165 -2.774 . . . . 25.0 106.165 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -131.23 141.21 49.99 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 118.479 1.139 . . . . 25.0 110.956 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -152.96 173.88 14.84 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 100.483 -3.895 . . . . 25.0 100.483 170.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mtm -121.23 140.36 52.15 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.174 -1.788 . . . . 25.0 106.174 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.9 122.08 46.08 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 mt -124.72 150.42 46.21 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -101.73 142.76 32.57 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.07 121.24 60.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -100.61 112.85 25.3 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.7 t -98.79 116.58 31.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.81 0.338 . . . . 25.0 110.334 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -93.91 112.53 26.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-O 121.36 0.6 . . . . 25.0 109.925 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -93.72 139.7 30.52 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.17 -28.47 69.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.167 0.508 . . . . 25.0 112.245 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.84 18.32 2.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.638 -0.71 . . . . 25.0 112.501 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.0 mt 58.48 27.0 14.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.513 1.125 . . . . 25.0 111.597 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.1 m -91.82 25.9 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.431 -1.259 . . . . 25.0 109.055 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.18 149.28 44.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.563 -169.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.87 161.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -166.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.3 t -128.97 145.79 51.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -152.67 171.85 17.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.402 -1.703 . . . . 25.0 106.402 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -129.21 150.38 50.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.324 0.511 . . . . 25.0 110.941 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.4 mt -133.73 149.8 51.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.893 -0.594 . . . . 25.0 111.229 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -102.36 129.05 48.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.49 164.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -84.15 166.67 17.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.21 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.014 -0.429 . . . . 25.0 110.918 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -96.63 13.24 28.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.479 0.657 . . . . 25.0 111.116 -175.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.52 132.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 25.0 109.395 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.0 152.08 37.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.481 0.181 . . . . 25.0 111.28 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.3 -27.82 68.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 170.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.52 -41.75 86.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.387 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -81.16 -34.01 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.439 177.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.64 -42.07 99.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -61.83 -33.89 74.97 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 120.598 -0.441 . . . . 25.0 110.957 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.85 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.353 0.597 . . . . 25.0 109.509 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.1 -41.31 99.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.682 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 22.2 p -77.17 -25.19 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.825 -0.547 . . . . 25.0 111.869 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.53 -39.61 91.97 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.12 -45.41 92.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.319 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.09 -42.59 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.155 0.502 . . . . 25.0 111.864 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.6 t -85.27 -15.93 41.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.58 25.73 71.6 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 121.166 -0.54 . . . . 25.0 114.228 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 4.0 pt -137.22 141.92 36.0 Favored Pre-proline 0 N--CA 1.469 0.496 0 N-CA-C 109.068 -0.715 . . . . 25.0 109.068 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.98 140.26 65.28 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 116.29 -2.007 . . . . 25.0 114.203 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.54 -25.98 68.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.844 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.08 62.91 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.969 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.15 17.26 17.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.311 0.577 . . . . 25.0 110.383 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.1 p -146.16 177.38 9.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -134.39 158.0 44.96 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -125.69 138.25 55.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.15 140.03 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 -177.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -141.78 134.43 28.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.424 -1.324 . . . . 25.0 107.424 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.47 40.65 27.25 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.004 0.522 . . . . 25.0 109.973 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 59.61 7.0 0.92 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.43 1.641 . . . . 25.0 115.43 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -105.57 132.88 20.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 121.679 -0.638 . . . . 25.0 109.874 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.67 149.95 61.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 115.95 -2.233 . . . . 25.0 110.722 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.55 114.48 28.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.3 p -114.98 -33.82 5.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -83.49 72.66 10.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.932 0.873 . . . . 25.0 109.238 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -66.7 -13.44 61.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.128 -0.942 . . . . 25.0 113.53 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -72.19 -15.82 61.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.564 0.697 . . . . 25.0 110.728 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.21 148.72 24.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.419 -0.801 . . . . 25.0 110.201 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 79.5 p -75.6 160.98 29.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.725 . . . . 25.0 109.423 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.95 -29.89 70.37 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.11 0.481 . . . . 25.0 111.186 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.38 70.32 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.093 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.3 t -69.8 -16.48 63.29 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -101.66 -4.86 25.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.98 66.49 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.964 -0.855 . . . . 25.0 110.964 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.41 79.2 2.46 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.682 0.754 . . . . 25.0 110.293 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.79 157.7 36.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.849 -1.069 . . . . 25.0 112.341 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.29 130.33 44.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.975 -1.011 . . . . 25.0 108.759 171.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.88 -17.39 49.17 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.349 -0.842 . . . . 25.0 113.27 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -79.75 169.6 17.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 117.91 0.855 . . . . 25.0 112.012 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.6 p -133.93 142.21 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 120.958 0.408 . . . . 25.0 111.595 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.84 160.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 107.465 -1.309 . . . . 25.0 107.465 175.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 86.9 mt -122.08 125.29 72.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -106.79 132.44 52.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 106.257 -1.756 . . . . 25.0 106.257 176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -118.22 113.01 20.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.177 0.513 . . . . 25.0 109.996 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 123.782 1.753 . . . . 25.0 111.894 179.054 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 123.357 1.551 . . . . 25.0 114.686 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.34 22.89 61.82 Favored Glycine 0 C--N 1.346 1.122 0 O-C-N 120.58 -1.325 . . . . 25.0 113.817 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -71.83 4.9 2.9 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.991 1.849 . . . . 25.0 115.991 -174.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -120.47 132.61 55.29 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.789 -0.57 . . . . 25.0 110.908 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -100.72 83.36 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.53 -0.759 . . . . 25.0 112.132 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.0 m80 64.17 -179.86 0.17 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.409 1.084 . . . . 25.0 113.637 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -124.25 4.77 8.48 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.589 -0.732 . . . . 25.0 110.434 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -138.65 159.89 40.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -68.6 135.83 52.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -139.68 142.67 36.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -81.6 147.05 29.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -70.05 145.49 51.66 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.199 -0.296 . . . . 25.0 110.199 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 m -64.37 157.04 27.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.884 0.373 . . . . 25.0 111.523 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.7 t -151.33 164.29 37.0 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.002 -1.851 . . . . 25.0 106.002 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.18 58.08 0.59 Allowed Glycine 0 C--O 1.225 -0.436 0 N-CA-C 111.786 -0.525 . . . . 25.0 111.786 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -95.6 122.68 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.8 pt -131.21 158.19 43.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -148.32 -64.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.379 0.609 . . . . 25.0 110.877 -176.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.44 -149.11 19.18 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 107.369 -2.292 . . . . 25.0 107.369 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -89.21 140.05 29.86 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 105.266 -2.124 . . . . 25.0 105.266 173.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -158.03 166.92 31.31 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.567 -2.012 . . . . 25.0 105.567 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -120.76 166.96 13.01 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 123.125 0.57 . . . . 25.0 111.443 -172.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.3 tp -117.86 131.79 56.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.0 mt -123.66 156.98 34.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.0 m -111.15 138.78 47.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.67 127.62 72.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -110.11 114.14 27.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.91 121.37 41.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.82 131.74 54.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.104 0.478 . . . . 25.0 110.861 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -123.12 143.7 49.82 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -65.48 -23.41 66.9 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.957 0.355 . . . . 25.0 111.957 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -88.54 25.66 1.65 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.161 0.505 . . . . 25.0 110.988 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt 52.42 29.79 7.4 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.444 1.098 . . . . 25.0 113.431 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.12 21.31 5.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.405 -0.816 . . . . 25.0 110.158 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -72.47 148.0 45.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.321 -170.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -155.05 160.48 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 -171.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -133.45 147.77 51.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -152.35 171.1 18.53 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.5 p -123.55 145.63 48.73 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.5 mt -121.84 144.64 48.71 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -113.62 118.67 35.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -144.52 163.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -79.56 166.68 21.66 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.32 94.14 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.65 0.262 . . . . 25.0 110.627 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -90.79 11.97 20.74 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.515 0.674 . . . . 25.0 112.724 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.84 130.71 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.27 148.98 46.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.95 0.405 . . . . 25.0 111.483 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -60.91 -35.62 77.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 25.0 109.967 175.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -35.74 76.15 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.597 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.84 -38.02 23.6 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.506 0.669 . . . . 25.0 109.991 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.54 -46.1 91.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.994 -0.441 . . . . 25.0 112.003 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -27.92 68.42 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.298 -0.561 . . . . 25.0 110.481 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.88 71.43 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.24 -41.0 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 25.0 110.368 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 12.0 p -73.17 -25.36 60.77 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.183 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.84 -40.59 91.89 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.882 -0.785 . . . . 25.0 108.882 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.92 -45.91 90.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 25.0 111.507 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -35.66 76.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.162 0.506 . . . . 25.0 111.531 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 45.0 m -79.94 -23.86 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.67 22.63 73.61 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.765 0.666 . . . . 25.0 114.765 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 33.9 pt -135.4 150.4 72.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 117.088 0.444 . . . . 25.0 110.582 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.0 127.02 16.11 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.499 -1.868 . . . . 25.0 113.358 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.32 -24.67 66.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.353 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.34 70.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -105.64 16.61 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.242 1.02 . . . . 25.0 109.294 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -126.61 178.03 6.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.992 -1.004 . . . . 25.0 109.076 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -134.32 147.31 50.55 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.815 -1.179 . . . . 25.0 107.815 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.24 134.12 67.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.0 -1.481 . . . . 25.0 107.0 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 63.3 t -136.15 137.75 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 123.381 0.673 . . . . 25.0 110.569 -170.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -141.11 141.03 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.91 44.45 25.31 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.834 0.454 . . . . 25.0 111.396 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.41 16.24 4.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -123.84 141.27 36.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.2 145.87 50.03 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 115.099 -2.8 . . . . 25.0 111.129 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 127' ' ' LEU . 21.6 mt -92.02 91.19 7.72 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.4 p -110.47 -34.52 6.3 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.233 1.938 . . . . 25.0 116.233 -172.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -80.82 89.97 5.85 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.764 -1.198 . . . . 25.0 107.764 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 2.3 p-10 -68.89 -12.0 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 -171.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -76.95 -8.08 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.786 0.679 . . . . 25.0 112.309 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -89.35 150.66 22.46 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 110.008 -0.368 . . . . 25.0 110.008 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.0 p -82.31 164.48 21.09 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 169.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.71 -34.31 77.91 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 122.012 -0.43 . . . . 25.0 111.58 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.9 -30.16 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 25.0 111.046 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 48.2 m -70.2 -16.46 63.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -100.25 -10.41 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 109.937 -0.394 . . . . 25.0 109.937 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 89.45 20.15 46.12 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-O 119.647 -0.529 . . . . 25.0 113.926 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.5 87.75 0.32 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 117.889 0.845 . . . . 25.0 110.552 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.72 162.02 25.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.138 0.494 . . . . 25.0 110.569 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -57.98 131.06 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.543 0.687 . . . . 25.0 109.69 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.67 -11.37 66.53 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 115.192 -0.913 . . . . 25.0 114.406 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.96 153.69 39.79 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 118.608 1.204 . . . . 25.0 111.916 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.9 t -115.44 129.29 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 25.0 111.003 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.73 142.53 21.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.7 mt -116.65 123.8 72.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.416 0.627 . . . . 25.0 109.372 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.85 135.97 44.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.609 -1.997 . . . . 25.0 105.609 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 39.0 mtp-105 -135.77 106.52 6.57 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.837 -0.539 . . . . 25.0 112.046 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 124.977 2.322 . . . . 25.0 111.181 177.612 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 122.717 1.246 . . . . 25.0 113.663 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.62 150.07 32.54 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 109.946 -1.262 . . . . 25.0 109.946 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -99.42 148.01 24.66 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -67.6 134.12 50.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.344 0.592 . . . . 25.0 111.38 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -91.84 116.83 29.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.851 -0.613 . . . . 25.0 109.549 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.86 166.28 34.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.467 0.543 . . . . 25.0 112.467 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 53.92 37.79 27.37 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.273 1.212 . . . . 25.0 114.273 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -67.69 -43.07 81.0 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.656 -0.653 . . . . 25.0 112.382 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -159.67 159.36 32.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -141.54 17.08 2.19 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -63.59 -51.58 64.72 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.327 1.232 . . . . 25.0 114.327 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -155.74 149.06 24.73 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -152.78 152.09 31.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.4 t 52.54 -140.79 0.89 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.376 0.67 . . . . 25.0 111.728 178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.77 -3.42 5.7 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 111.696 -0.562 . . . . 25.0 111.696 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -72.25 115.81 11.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.413 -0.463 . . . . 25.0 110.45 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.0 pt -123.83 9.55 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 112.659 0.614 . . . . 25.0 112.659 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -73.88 157.46 36.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.99 46.97 0.02 OUTLIER Glycine 0 C--O 1.227 -0.286 0 N-CA-C 115.478 0.951 . . . . 25.0 115.478 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -71.25 138.4 49.4 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.036 0.918 . . . . 25.0 110.0 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -164.09 174.74 10.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -145.94 163.89 33.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.756 -1.202 . . . . 25.0 107.756 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.4 tp -112.45 133.25 54.63 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 122.317 0.247 . . . . 25.0 110.58 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -125.03 155.84 39.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -108.75 135.32 50.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.77 127.79 72.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -113.59 112.38 23.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.027 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -96.7 131.23 43.59 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.4 t -124.66 131.54 72.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 120.807 0.337 . . . . 25.0 111.194 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.72 147.53 45.79 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 173.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -65.17 -16.98 64.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.134 0.492 . . . . 25.0 111.526 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.78 15.77 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.811 -1.086 . . . . 25.0 111.661 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt 57.88 24.83 11.34 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.116 1.154 . . . . 25.0 114.116 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.95 25.84 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.801 0.81 . . . . 25.0 109.2 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -72.2 145.82 47.76 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.845 -1.071 . . . . 25.0 109.905 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.4 p -152.78 144.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 -174.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.5 t -123.48 141.87 51.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -153.26 173.93 14.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.097 -1.816 . . . . 25.0 106.097 -175.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.7 p -123.71 155.27 38.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -131.0 140.45 50.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.064 0.459 . . . . 25.0 109.983 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -101.32 113.63 26.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.59 165.77 24.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 122.556 0.342 . . . . 25.0 111.342 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -79.07 160.28 27.16 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.77 78.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.64 16.27 10.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.724 0.773 . . . . 25.0 112.168 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -67.85 128.05 35.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 25.0 109.861 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.02 143.22 58.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.804 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -29.38 70.48 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.08 0.467 . . . . 25.0 109.942 176.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -59.48 -43.19 93.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.73 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.58 -32.62 53.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.797 -0.564 . . . . 25.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.45 -43.26 99.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -27.66 67.55 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.688 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.35 67.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 117.999 0.363 . . . . 25.0 110.074 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.11 -38.18 87.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.36 -42.82 99.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.258 -0.428 . . . . 25.0 110.341 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.36 -40.96 92.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 25.0 110.613 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.46 -46.13 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 25.0 111.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -71.65 -40.02 69.96 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.254 0.55 . . . . 25.0 112.466 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 82.2 p -82.58 -24.11 34.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.382 0.882 . . . . 25.0 113.382 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.61 21.26 76.23 Favored Glycine 0 CA--C 1.515 0.082 0 C-N-CA 121.107 -0.568 . . . . 25.0 114.327 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.76 146.47 50.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -62.85 119.13 6.08 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 117.057 -1.495 . . . . 25.0 113.752 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.46 -24.32 67.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 25.0 109.989 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.18 -24.57 67.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.945 -0.57 . . . . 25.0 112.537 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.86 14.84 27.49 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 120.772 0.32 . . . . 25.0 111.409 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.0 p -133.88 165.29 25.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -173.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -125.17 149.99 47.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 107.0 -1.482 . . . . 25.0 107.0 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.1 tt -121.62 136.15 59.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.601 -0.889 . . . . 25.0 108.601 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.97 136.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 124.028 0.931 . . . . 25.0 110.665 -168.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -141.2 143.56 34.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.361 -1.718 . . . . 25.0 106.361 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.61 45.24 27.02 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.458 0.647 . . . . 25.0 111.211 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 60.37 7.36 1.28 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.809 1.781 . . . . 25.0 115.809 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -124.38 145.89 50.29 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.479 -0.763 . . . . 25.0 111.924 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.67 148.85 53.87 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 115.182 -2.746 . . . . 25.0 112.072 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.86 122.59 33.7 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 105.211 -2.144 . . . . 25.0 105.211 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 43.1 p -113.06 -43.51 3.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -82.28 101.33 10.46 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -76.04 -10.77 59.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.627 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -90.4 32.27 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.099 0.874 . . . . 25.0 111.95 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -134.13 142.2 47.39 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -77.46 163.38 26.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.055 0.455 . . . . 25.0 110.702 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.18 -39.75 83.52 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 121.443 0.64 . . . . 25.0 111.197 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.98 68.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.821 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.5 m -72.7 -18.51 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.867 0.321 . . . . 25.0 111.867 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.53 -6.84 26.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.26 20.5 56.97 Favored Glycine 0 C--O 1.226 -0.393 0 C-N-CA 121.177 -0.535 . . . . 25.0 114.093 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 90.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.809 0.804 . . . . 25.0 110.499 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -80.69 162.05 24.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.011 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.92 129.14 36.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.033 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.52 -10.1 66.87 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-O 119.302 -0.721 . . . . 25.0 114.415 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.13 153.8 42.79 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 118.418 1.109 . . . . 25.0 110.989 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.03 130.67 67.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.871 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.19 137.75 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.92 131.2 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.9 tt -121.08 137.75 54.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 25.0 108.655 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.04 123.91 41.94 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 122.148 -0.345 . . . . 25.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 124.395 2.045 . . . . 25.0 110.688 178.09 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 94.1 mtp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 122.157 0.98 . . . . 25.0 113.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.35 97.52 0.16 Allowed Glycine 0 C--O 1.219 -0.786 0 O-C-N 121.755 -0.591 . . . . 25.0 113.008 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -149.69 146.44 27.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -68.6 134.55 50.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.283 -0.266 . . . . 25.0 110.283 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -137.44 -24.45 1.06 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.647 0.61 . . . . 25.0 112.647 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 53.13 37.27 24.53 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.663 0.986 . . . . 25.0 113.663 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -62.69 -43.67 98.21 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 122.056 -0.403 . . . . 25.0 110.469 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.9 t60 55.49 -166.06 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.663 0.785 . . . . 25.0 113.074 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -163.77 176.94 9.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -117.58 -41.7 2.92 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.25 0.344 . . . . 25.0 111.365 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.3 t60 53.87 38.47 28.76 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.832 1.049 . . . . 25.0 113.832 175.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -70.06 159.47 33.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.692 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 t 81.17 161.22 0.16 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.503 1.921 . . . . 25.0 111.841 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -158.11 164.11 36.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.299 -1.741 . . . . 25.0 106.299 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.79 170.79 43.0 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 107.443 -2.263 . . . . 25.0 107.443 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -144.48 151.11 38.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.929 -1.878 . . . . 25.0 105.929 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.5 pt -129.59 158.7 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.524 -1.288 . . . . 25.0 107.524 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -104.0 -47.79 4.08 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.279 -0.638 . . . . 25.0 109.279 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.93 -171.08 40.54 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 116.025 -0.534 . . . . 25.0 113.434 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 43.98 32.03 0.58 Allowed 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 116.298 1.962 . . . . 25.0 116.298 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -119.69 165.23 14.77 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -111.86 -179.66 3.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 122.816 0.446 . . . . 25.0 110.144 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.0 tp -133.64 133.15 41.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.1 153.75 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -102.29 140.65 36.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.62 131.63 72.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -120.77 109.29 14.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 83.4 m -93.98 134.51 36.3 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.2 t -130.04 130.97 66.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.137 0.494 . . . . 25.0 112.065 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -132.95 144.44 50.13 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 105.199 -2.148 . . . . 25.0 105.199 171.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.69 -10.93 60.21 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.42 26.72 1.61 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.032 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.91 29.72 8.19 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.702 1.201 . . . . 25.0 113.298 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 21.23 9.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.799 0.809 . . . . 25.0 108.929 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.62 147.76 41.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.296 -0.866 . . . . 25.0 110.169 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.07 152.86 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 t -134.99 147.45 49.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -156.66 174.89 14.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.555 -1.646 . . . . 25.0 106.555 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -126.71 147.66 49.94 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.6 mt -126.24 147.24 49.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.23 128.07 43.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.84 161.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -81.97 168.23 18.08 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.83 -36.07 75.3 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 12.12 12.24 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.819 -0.628 . . . . 25.0 112.553 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.85 129.57 41.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -69.6 147.65 50.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.051 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.85 -35.73 80.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 174.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -57.87 -40.08 79.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 25.0 110.364 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -78.05 -38.84 43.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 120.886 0.374 . . . . 25.0 110.328 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.46 -44.3 96.74 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.81 73.11 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.284 -0.567 . . . . 25.0 110.572 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.98 64.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.068 0.461 . . . . 25.0 110.268 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.1 tp -65.55 -41.39 93.08 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.882 -0.511 . . . . 25.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 15.5 p -75.22 -26.04 58.61 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.238 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.55 -43.69 84.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.93 -44.68 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.533 -0.758 . . . . 25.0 111.725 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -70.81 -42.88 69.7 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 -178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.0 p -79.63 -22.33 43.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.89 14.2 82.85 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.792 -0.718 . . . . 25.0 114.463 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.2 pt -125.07 138.46 31.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 117.46 0.63 . . . . 25.0 109.339 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -64.44 134.69 42.68 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.477 1.299 . . . . 25.0 115.477 -172.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -23.98 64.46 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.82 63.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.012 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -100.58 9.91 41.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.587 0.708 . . . . 25.0 109.227 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.5 m -131.96 168.71 17.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.615 0.721 . . . . 25.0 111.721 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -128.49 146.82 50.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 106.822 -1.548 . . . . 25.0 106.822 169.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.7 tt -120.71 134.55 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.6 t -128.77 139.44 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 124.252 1.021 . . . . 25.0 110.046 -167.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -137.84 139.31 39.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.23 42.81 25.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.205 0.526 . . . . 25.0 110.832 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 58.83 12.88 2.46 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.661 1.726 . . . . 25.0 115.661 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -119.81 142.65 33.51 Favored Pre-proline 0 N--CA 1.47 0.533 0 O-C-N 121.609 -0.682 . . . . 25.0 110.818 175.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.09 145.59 49.91 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 116.566 -1.823 . . . . 25.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 12.1 mt -89.88 94.1 9.68 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 50.1 p -108.79 -24.24 11.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.85 1.796 . . . . 25.0 115.85 -174.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -85.64 79.33 9.39 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -67.06 -2.78 5.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.463 1.282 . . . . 25.0 114.463 -173.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.47 10.58 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.335 0.654 . . . . 25.0 112.368 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -118.11 143.91 46.09 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 122.072 -0.392 . . . . 25.0 110.989 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 81.5 p -76.02 160.38 29.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.918 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.91 -34.38 78.26 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-O 121.476 0.655 . . . . 25.0 112.582 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.94 -28.03 69.8 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.044 -0.41 . . . . 25.0 110.397 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.3 t -69.1 -16.95 63.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.853 0.316 . . . . 25.0 111.853 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -101.98 -6.18 23.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.13 20.65 56.99 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 119.116 -0.825 . . . . 25.0 113.828 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.92 85.91 0.7 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.538 1.169 . . . . 25.0 109.554 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -82.26 167.82 18.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.3 0.571 . . . . 25.0 110.877 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -55.34 126.32 24.5 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.671 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.92 -10.29 66.04 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.602 -0.726 . . . . 25.0 114.515 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.55 163.31 28.2 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 117.85 0.825 . . . . 25.0 111.22 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.8 t -125.31 139.38 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 -171.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.55 156.5 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.8 mt -121.63 128.7 75.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 10.0 tt -113.16 133.98 54.78 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.96 128.25 51.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.964 -0.46 . . . . 25.0 110.227 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 123.596 0.758 . . . . 25.0 111.065 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 124.88 2.276 . . . . 25.0 112.748 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.2 -35.75 0.02 OUTLIER Glycine 0 C--O 1.225 -0.415 0 CA-C-N 113.042 -1.89 . . . . 25.0 112.545 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 52.04 34.36 13.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.572 1.323 . . . . 25.0 114.572 172.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -103.93 133.43 48.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.491 0.662 . . . . 25.0 110.558 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.73 171.51 18.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 103.89 -2.633 . . . . 25.0 103.89 176.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -139.61 141.8 37.1 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -114.33 133.65 55.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.165 -1.791 . . . . 25.0 106.165 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -71.29 119.22 15.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -152.89 178.16 9.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -130.54 154.75 47.49 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 172.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -160.87 -179.48 7.6 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.181 -2.155 . . . . 25.0 105.181 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -64.91 135.17 55.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 m -72.13 75.34 0.96 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.9 p -79.12 -31.13 44.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.24 8.97 87.1 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.06 -0.59 . . . . 25.0 111.631 -175.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -104.01 173.64 6.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.04 117.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -80.98 154.46 26.92 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.444 0.64 . . . . 25.0 111.049 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.89 169.75 54.35 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 115.551 -0.75 . . . . 25.0 114.656 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -139.74 33.1 2.01 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -135.82 169.98 16.7 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.833 -1.914 . . . . 25.0 105.833 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -99.57 169.19 9.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.468 0.651 . . . . 25.0 112.232 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.8 tp -131.75 131.93 43.4 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.12 153.82 40.92 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -103.52 140.74 37.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -125.18 123.64 65.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -109.94 112.85 25.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.54 125.86 49.4 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.234 -0.291 . . . . 25.0 110.473 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.73 130.64 58.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-O 121.13 0.49 . . . . 25.0 110.93 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -125.08 145.38 49.95 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.972 -1.492 . . . . 25.0 106.972 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -65.11 -24.08 67.32 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.308 1.225 . . . . 25.0 114.308 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 16.07 2.57 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.206 0.447 . . . . 25.0 112.206 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.5 mt 58.09 28.06 15.83 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.496 1.141 . . . . 25.0 109.881 -173.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.6 t -89.27 25.54 1.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.968 -1.469 . . . . 25.0 107.718 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -72.68 150.99 42.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.793 -1.094 . . . . 25.0 109.461 -176.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.6 p -152.1 153.81 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 25.0 107.981 -174.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -130.97 142.56 50.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -155.06 176.92 11.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.862 -1.533 . . . . 25.0 106.862 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.9 m -128.45 148.49 50.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.903 0.319 . . . . 25.0 110.309 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.69 143.51 50.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.316 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.22 128.9 44.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.51 161.06 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 -175.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.15 167.67 10.07 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.64 72.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.137 0.494 . . . . 25.0 110.698 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -85.5 2.6 44.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.582 -0.736 . . . . 25.0 112.601 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.64 125.81 28.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.715 -0.616 . . . . 25.0 111.532 -176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.3 152.46 43.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.967 -0.561 . . . . 25.0 112.476 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 157' ' ' ASN . 0.1 OUTLIER -63.26 -35.51 80.59 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 170.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -58.85 -44.28 90.96 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.123 0.487 . . . . 25.0 111.163 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -73.67 -34.21 64.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.79 0.329 . . . . 25.0 110.15 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -63.37 -42.86 98.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -65.87 -30.01 70.55 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.471 -0.892 . . . . 25.0 110.829 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.28 63.87 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.266 0.555 . . . . 25.0 110.374 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.62 -36.66 84.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.518 0.675 . . . . 25.0 109.64 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.73 -35.56 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.391 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.46 -38.23 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.079 -0.341 . . . . 25.0 110.079 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.98 -44.13 97.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.71 -31.28 41.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.621 0.6 . . . . 25.0 112.621 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.8 p -89.83 -20.32 23.59 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.564 0.95 . . . . 25.0 113.564 -174.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.53 70.95 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.328 0.891 . . . . 25.0 115.328 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.64 153.62 81.18 Favored Pre-proline 0 C--O 1.219 -0.518 0 CA-C-N 117.425 0.613 . . . . 25.0 110.4 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.49 124.47 12.91 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 116.697 -1.735 . . . . 25.0 113.211 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.51 -24.82 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.517 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.98 69.14 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -96.01 27.06 3.78 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.747 0.784 . . . . 25.0 109.973 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -140.74 159.49 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 -173.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.72 147.15 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.34 133.75 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.5 m -129.82 152.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.815 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -136.68 131.94 34.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 103.677 -2.712 . . . . 25.0 103.677 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.06 42.15 28.24 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 -171.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 59.66 5.66 0.72 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.257 1.947 . . . . 25.0 116.257 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -109.09 139.8 21.32 Favored Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 121.646 -0.658 . . . . 25.0 109.712 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.48 145.33 52.67 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 116.992 -1.539 . . . . 25.0 116.042 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 80.4 mt -96.78 109.5 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 176.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 51.9 p -118.24 -35.67 3.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -172.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -81.66 96.51 7.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.869 0.842 . . . . 25.0 110.481 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 80.9 m-20 -65.08 -19.01 65.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -175.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -72.09 -19.16 61.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.38 0.609 . . . . 25.0 112.128 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -89.61 147.63 23.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.664 -0.647 . . . . 25.0 112.26 -176.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 93.7 p -78.87 161.05 27.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 109.446 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.89 -34.61 78.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.095 0.474 . . . . 25.0 111.309 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.09 71.19 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.189 -0.319 . . . . 25.0 110.305 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.7 t -69.95 -20.14 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.437 -0.165 . . . . 25.0 110.652 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -94.4 -5.59 46.04 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.7 21.16 56.76 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-O 119.264 -0.742 . . . . 25.0 113.355 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.56 86.72 0.89 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.271 1.035 . . . . 25.0 109.645 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -72.92 161.54 30.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.482 -0.781 . . . . 25.0 110.371 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -59.42 127.34 31.62 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 174.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.21 58.35 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.573 -0.74 . . . . 25.0 114.2 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.15 156.39 36.33 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.365 1.082 . . . . 25.0 110.745 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.28 139.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 25.0 110.614 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.17 156.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.8 mt -122.81 129.07 75.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.77 136.79 52.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -130.41 108.85 10.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 123.607 1.67 . . . . 25.0 111.724 -177.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 76.1 mtm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 122.527 1.156 . . . . 25.0 113.476 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -172.38 -177.3 41.74 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 109.139 -1.585 . . . . 25.0 109.139 -177.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -131.72 165.14 24.4 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -115.8 163.28 16.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -133.13 165.4 24.86 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 -176.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -107.33 150.08 27.1 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -138.05 165.94 25.35 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 t60 51.68 74.16 0.27 Allowed 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.931 0.769 . . . . 25.0 112.316 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -65.1 130.9 45.02 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.239 -1.393 . . . . 25.0 107.239 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -69.54 132.98 47.12 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.066 -0.346 . . . . 25.0 110.066 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.14 141.03 43.75 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -139.53 -42.92 0.45 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.549 1.315 . . . . 25.0 114.549 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -31.65 70.05 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -174.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.6 p 51.9 -156.45 0.14 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.85 37.4 0.13 Allowed Glycine 0 C--O 1.225 -0.432 0 N-CA-C 110.611 -0.996 . . . . 25.0 110.611 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -77.09 124.65 28.11 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 122.159 -0.612 . . . . 25.0 112.201 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 78.6 mt -131.23 116.66 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 107.386 -1.339 . . . . 25.0 107.386 177.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -84.56 148.45 26.48 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.78 24.54 0.23 Allowed Glycine 0 C--O 1.217 -0.918 0 CA-C-O 118.849 -0.973 . . . . 25.0 114.975 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 55.89 60.16 3.41 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 122.403 1.096 . . . . 25.0 112.079 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -93.22 162.57 13.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 104.532 -2.396 . . . . 25.0 104.532 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 44.3 mtm -131.81 171.03 14.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.726 0.298 . . . . 25.0 110.794 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.76 133.06 47.97 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.74 152.63 47.5 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -101.18 137.63 39.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.18 122.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -106.57 114.79 29.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.75 130.91 44.68 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.9 t -115.37 131.88 66.37 Favored 'Isoleucine or valine' 0 C--O 1.245 0.84 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -124.71 145.74 49.53 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 169.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.4 -30.66 71.37 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.75 23.26 1.0 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.7 mt 56.11 30.89 17.17 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.508 1.123 . . . . 25.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.77 24.59 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -72.39 152.69 41.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.532 -1.213 . . . . 25.0 110.389 -174.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -150.55 154.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.412 -1.699 . . . . 25.0 106.412 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -132.55 142.68 49.28 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 175.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -150.34 176.15 11.16 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 106.477 -1.675 . . . . 25.0 106.477 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 91.7 p -128.81 152.58 48.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.5 mt -128.61 141.36 51.38 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 121.217 0.532 . . . . 25.0 110.366 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -91.54 127.74 37.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 105.716 -1.957 . . . . 25.0 105.716 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.68 -179.64 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 -174.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -108.96 166.96 10.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.787 -0.819 . . . . 25.0 108.787 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.23 91.37 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -92.89 15.53 14.61 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.694 0.759 . . . . 25.0 111.925 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.64 127.51 31.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.556 . . . . 25.0 110.518 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -69.98 148.6 48.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.812 0.339 . . . . 25.0 110.669 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.49 -28.16 69.47 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.115 -0.366 . . . . 25.0 111.467 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.79 -44.46 96.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.65 0.738 . . . . 25.0 109.351 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.92 -40.26 68.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.676 0.75 . . . . 25.0 109.592 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.09 -42.62 98.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -69.47 -29.6 67.3 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.611 -0.836 . . . . 25.0 111.315 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.76 79.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 mp -63.12 -43.38 98.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.653 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 20.6 p -76.74 -25.07 53.08 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 119.685 -0.806 . . . . 25.0 112.022 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.46 -41.49 96.48 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.45 -45.21 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.821 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -68.98 -35.72 77.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.275 0.559 . . . . 25.0 111.184 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.1 m -80.23 -26.01 39.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.52 30.42 73.1 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.49 0.556 . . . . 25.0 114.49 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.04 152.58 77.74 Favored Pre-proline 0 N--CA 1.473 0.71 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -68.87 134.52 30.1 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 115.812 -2.325 . . . . 25.0 112.998 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.05 67.87 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.965 -0.459 . . . . 25.0 110.737 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.79 -22.33 66.96 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -103.49 8.5 37.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.976 0.362 . . . . 25.0 111.976 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 78.6 p -143.4 167.28 22.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -173.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.35 160.3 38.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 tt -124.98 134.93 65.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.306 -0.628 . . . . 25.0 109.306 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.16 138.4 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 124.247 1.019 . . . . 25.0 110.551 -168.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -142.84 143.72 32.22 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.453 -1.314 . . . . 25.0 107.453 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.09 44.94 28.44 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.837 0.455 . . . . 25.0 110.773 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.7 9.76 2.32 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.25 1.574 . . . . 25.0 115.25 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.14 145.08 54.05 Favored Pre-proline 0 N--CA 1.466 0.353 0 O-C-N 121.771 -0.581 . . . . 25.0 112.17 -178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.87 145.02 49.67 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 116.39 -1.94 . . . . 25.0 112.166 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.6 mt -88.3 80.46 7.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -80.74 -39.27 27.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.276 1.584 . . . . 25.0 115.276 -171.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -83.76 89.66 7.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.713 0.768 . . . . 25.0 110.394 -176.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -71.22 -7.67 48.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.418 1.266 . . . . 25.0 114.418 -174.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -83.52 -15.83 47.87 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.133 0.492 . . . . 25.0 111.532 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.39 153.31 22.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.713 -0.617 . . . . 25.0 111.335 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.9 p -81.62 161.54 23.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.814 -0.63 . . . . 25.0 110.506 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.13 -36.49 84.19 Favored 'General case' 0 C--O 1.247 0.964 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.89 70.87 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.191 -0.318 . . . . 25.0 110.621 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 23.0 t -66.75 -19.85 65.84 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.172 -0.33 . . . . 25.0 111.253 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -101.36 -2.82 30.01 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.903 0.382 . . . . 25.0 110.07 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 78.98 28.64 53.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-O 119.169 -0.795 . . . . 25.0 112.694 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.01 83.89 1.26 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.633 1.217 . . . . 25.0 109.454 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -68.41 151.56 46.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.702 -0.681 . . . . 25.0 110.241 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.47 133.12 55.8 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.61 -11.03 66.79 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.19 -0.914 . . . . 25.0 113.628 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.87 164.95 26.01 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 118.884 1.342 . . . . 25.0 112.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 24.1 t -115.27 132.4 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.468 0.651 . . . . 25.0 111.924 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 4.1 t -112.08 144.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.234 -1.395 . . . . 25.0 107.234 178.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.41 120.78 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.377 0.608 . . . . 25.0 109.477 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.1 tt -99.4 130.92 45.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.545 -2.02 . . . . 25.0 105.545 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -124.33 120.04 31.01 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.306 -0.872 . . . . 25.0 112.66 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.208 -1.115 0 CA-C-O 123.89 1.805 . . . . 25.0 109.737 168.754 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 95.0 mtp . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 125.243 2.449 . . . . 25.0 112.096 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.92 -169.86 52.43 Favored Glycine 0 C--O 1.223 -0.575 0 CA-C-N 112.009 -2.359 . . . . 25.0 110.591 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -71.62 -41.04 69.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.908 0.385 . . . . 25.0 111.526 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 45.98 42.73 9.72 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.979 1.103 . . . . 25.0 113.979 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -62.82 132.79 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -71.43 133.15 45.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.164 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -146.28 42.89 1.2 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -174.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -72.96 152.0 41.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 175.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -134.59 169.32 17.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -150.73 176.09 11.36 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 105.622 -1.992 . . . . 25.0 105.622 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -138.86 -176.82 4.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -119.86 162.2 19.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.845 -1.168 . . . . 25.0 107.845 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -88.46 146.1 25.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.0 p -149.38 56.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.929 -0.397 . . . . 25.0 109.929 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.48 -36.28 90.89 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 115.214 0.846 . . . . 25.0 115.214 -175.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 53.55 35.51 21.06 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.839 1.051 . . . . 25.0 113.839 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.0 mt -91.13 124.23 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -140.48 139.89 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.324 -1.732 . . . . 25.0 106.324 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.89 -178.01 41.89 Favored Glycine 0 C--O 1.227 -0.298 0 N-CA-C 110.637 -0.985 . . . . 25.0 110.637 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -100.81 75.02 1.68 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.259 0.529 . . . . 25.0 110.252 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -129.39 165.85 20.72 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -131.73 164.96 24.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.818 -0.438 . . . . 25.0 109.818 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -122.28 133.59 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.0 mt -124.01 154.39 39.92 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.39 138.09 47.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.131 -1.063 . . . . 25.0 108.131 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.59 131.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -117.04 113.44 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.713 -1.218 . . . . 25.0 107.713 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 78.8 m -98.96 135.7 40.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.237 -0.283 . . . . 25.0 110.237 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.84 131.94 70.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 122.893 0.477 . . . . 25.0 111.921 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -124.29 148.27 47.54 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -66.04 -22.38 66.43 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.51 18.53 2.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 25.0 111.583 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.9 mt 57.09 28.82 15.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.09 0.956 . . . . 25.0 111.476 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.7 m -90.45 26.04 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 25.0 109.284 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.35 148.1 45.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.244 -0.889 . . . . 25.0 110.844 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.48 157.63 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 -173.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -136.24 149.67 48.62 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.023 -1.103 . . . . 25.0 108.023 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.55 173.15 17.35 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.09 -1.818 . . . . 25.0 106.09 -176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.8 m -124.84 150.02 46.85 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.095 -0.706 . . . . 25.0 109.095 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.07 143.55 51.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -102.36 125.98 49.24 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.547 -1.649 . . . . 25.0 106.547 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.64 166.58 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.43 166.96 12.97 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.5 74.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.42 -5.16 57.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.371 -0.831 . . . . 25.0 112.299 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.5 127.71 32.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.288 0.566 . . . . 25.0 110.879 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' A' ' 129' ' ' ASN . 1.6 pm0 -79.27 150.85 31.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.164 0.801 . . . . 25.0 113.164 -174.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 25.0 109.685 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -58.69 -44.84 90.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 25.0 112.067 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.517 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 76.0 m-20 -80.76 -30.34 36.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.167 -0.47 . . . . 25.0 109.98 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.13 -45.48 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.97 -0.457 . . . . 25.0 112.046 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -65.74 -28.29 68.93 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 120.043 -0.663 . . . . 25.0 110.856 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.9 70.59 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.98 -37.74 88.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.676 -0.491 . . . . 25.0 109.676 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.08 -40.61 94.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.92 -0.487 . . . . 25.0 110.512 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.53 -40.33 96.45 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.087 0.555 . . . . 25.0 110.709 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.84 -45.91 90.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 25.0 112.085 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -79.36 -34.7 41.81 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.675 0.621 . . . . 25.0 112.675 -177.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 89.7 p -81.65 -24.59 36.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.32 70.38 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 115.068 0.787 . . . . 25.0 115.068 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 40.4 pt -125.2 145.65 51.3 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.27 128.22 23.25 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 116.407 -1.928 . . . . 25.0 114.177 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.17 -27.3 67.91 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.78 -24.83 67.02 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -95.96 -0.69 50.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 25.0 110.672 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 m -119.38 161.01 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -170.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -121.54 146.36 47.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.35 -0.982 . . . . 25.0 108.35 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -121.75 131.05 73.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 -175.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.42 133.88 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.489 0.716 . . . . 25.0 111.228 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -136.54 139.78 42.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.35 -1.722 . . . . 25.0 106.35 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.39 41.52 28.32 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 123.002 0.521 . . . . 25.0 111.482 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 59.65 13.68 3.56 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.051 1.501 . . . . 25.0 115.051 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -119.48 136.92 24.92 Favored Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 121.733 -0.604 . . . . 25.0 110.716 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.65 149.42 48.91 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 115.995 -2.203 . . . . 25.0 112.059 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.1 mt -99.46 89.99 4.36 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.2 p -99.42 -20.86 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.849 1.425 . . . . 25.0 114.849 -172.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.96 99.37 12.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -65.65 -20.07 66.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.391 -0.822 . . . . 25.0 112.484 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -83.53 -6.03 59.33 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -90.97 148.24 22.55 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 121.353 -0.842 . . . . 25.0 109.923 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 92.7 p -79.59 159.04 26.97 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 173.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 35.6 mt -65.22 -33.39 75.88 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.451 0.643 . . . . 25.0 110.951 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.043 -0.411 . . . . 25.0 110.005 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.86 -17.1 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.266 -0.271 . . . . 25.0 110.724 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.53 -6.36 40.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.04 19.7 56.96 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 114.267 0.467 . . . . 25.0 114.267 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.23 88.6 0.84 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 117.53 0.665 . . . . 25.0 111.009 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -65.07 155.74 33.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.598 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -59.69 130.65 47.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.97 -11.55 67.68 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.584 -0.734 . . . . 25.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -65.72 148.8 51.16 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.162 0.981 . . . . 25.0 111.086 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.3 t -108.61 128.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.784 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.52 135.73 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.194 -1.039 . . . . 25.0 108.194 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 57.9 mt -107.27 120.48 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.4 tt -113.27 131.47 55.91 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -130.73 132.04 45.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -172.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 118.118 -0.944 . . . . 25.0 109.866 170.405 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 122.649 1.214 . . . . 25.0 113.403 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.44 172.69 45.38 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.363 -1.495 . . . . 25.0 109.363 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -116.55 71.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.652 0.726 . . . . 25.0 110.721 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 58.87 -168.72 0.14 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 114.668 -1.151 . . . . 25.0 113.449 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -159.28 169.2 24.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -134.55 -55.21 0.84 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 62.84 -178.44 0.14 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.063 0.945 . . . . 25.0 113.048 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.0 m80 58.43 31.86 21.44 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.875 1.435 . . . . 25.0 114.875 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -78.11 82.72 4.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -62.98 -42.28 99.8 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 67.95 138.83 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -78.35 138.66 38.66 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -147.59 157.63 43.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 105.105 -2.183 . . . . 25.0 105.105 176.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.0 p -152.08 163.69 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.79 32.32 0.43 Allowed Glycine 0 C--O 1.224 -0.5 0 N-CA-C 111.262 -0.735 . . . . 25.0 111.262 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -75.59 137.59 40.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.9 pt -144.17 162.68 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 106.347 -1.723 . . . . 25.0 106.347 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -113.97 149.88 34.65 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.087 -0.708 . . . . 25.0 109.087 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.22 -175.42 34.2 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 107.979 -2.048 . . . . 25.0 107.979 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -146.79 126.42 13.35 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 118.336 1.068 . . . . 25.0 110.264 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -152.8 168.22 26.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.031 -2.211 . . . . 25.0 105.031 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -144.48 164.6 30.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.187 -0.671 . . . . 25.0 109.187 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.25 130.02 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.29 153.71 38.56 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -104.97 141.06 37.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.4 124.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.27 109.07 19.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.3 t -93.69 134.3 36.15 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.7 t -127.55 131.34 70.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.142 0.496 . . . . 25.0 111.962 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.24 147.17 50.22 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 171.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -66.17 -25.89 67.16 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 111.899 0.333 . . . . 25.0 111.899 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -81.18 23.18 0.6 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt 57.46 29.75 17.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.507 1.123 . . . . 25.0 112.11 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.97 21.16 4.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.411 -0.813 . . . . 25.0 109.059 176.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.56 146.08 46.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.164 -0.925 . . . . 25.0 111.111 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 148.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -125.96 143.03 51.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -155.61 174.48 15.21 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.789 -1.56 . . . . 25.0 106.789 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -130.19 149.78 51.74 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.0 mt -130.28 148.04 52.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.077 -0.511 . . . . 25.0 110.752 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -97.42 127.99 43.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.6 m -140.44 163.16 23.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -83.44 161.59 21.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.02 73.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 25.0 109.89 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.97 8.78 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.415 -0.811 . . . . 25.0 112.625 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -63.92 127.04 29.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.257 0.551 . . . . 25.0 109.985 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.2 149.57 47.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.622 -177.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -61.68 -35.59 78.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.267 178.136 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -60.37 -46.78 88.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 25.0 110.0 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -69.22 -31.65 70.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.6 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -63.39 -41.43 98.76 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.17 -0.331 . . . . 25.0 111.685 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -60.77 -44.89 96.19 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.091 0.472 . . . . 25.0 109.938 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.7 98.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 25.0 111.229 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.08 -37.46 85.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.284 0.564 . . . . 25.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.73 -41.58 99.25 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.585 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.62 -41.56 99.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.542 0.337 . . . . 25.0 110.179 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.08 -48.73 78.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.926 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.63 -43.08 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.373 0.606 . . . . 25.0 111.884 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.4 t -79.93 -16.1 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.82 24.97 75.07 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.347 -0.454 . . . . 25.0 113.914 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.1 pt -133.94 145.84 57.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -65.39 133.76 36.11 Favored 'Trans proline' 0 C--O 1.238 0.511 0 C-N-CA 115.992 -2.205 . . . . 25.0 113.069 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.25 68.3 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.78 71.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.756 0.312 . . . . 25.0 111.775 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -83.55 9.62 10.95 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.595 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.3 p -137.24 160.67 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 116.419 2.007 . . . . 25.0 116.419 -173.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -120.03 152.95 36.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.728 -1.124 . . . . 25.0 108.045 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.2 tt -121.37 136.16 59.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.33 138.46 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.458 -0.941 . . . . 25.0 108.458 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -138.12 131.24 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.94 41.77 27.42 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.147 0.499 . . . . 25.0 110.546 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 60.73 11.49 3.18 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.202 1.556 . . . . 25.0 115.202 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -110.96 132.2 21.77 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 121.721 -0.612 . . . . 25.0 109.403 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -70.89 146.86 54.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 115.256 -2.696 . . . . 25.0 111.361 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.489 ' HB3' HD11 ' A' ' 127' ' ' LEU . 81.4 mt -102.56 98.75 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 75.0 p -115.41 -22.84 9.13 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 87.76 7.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.116 0.96 . . . . 25.0 110.054 -177.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.96 -15.3 62.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.706 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.07 3.88 4.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.858 1.058 . . . . 25.0 113.858 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -120.83 141.17 50.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.523 -0.736 . . . . 25.0 110.789 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.13 161.48 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.516 -0.765 . . . . 25.0 109.851 176.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.01 -38.98 93.36 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.218 0.822 . . . . 25.0 113.218 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.67 70.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 122.046 -0.409 . . . . 25.0 110.758 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 15.6 m -69.53 -17.07 63.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -98.44 -2.86 38.04 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 86.56 18.05 59.24 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 119.3 -0.722 . . . . 25.0 113.631 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.86 86.42 2.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 118.503 1.151 . . . . 25.0 108.249 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -83.74 169.62 15.05 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.26 125.54 22.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.604 0.716 . . . . 25.0 110.105 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.32 -14.26 59.64 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.095 -0.957 . . . . 25.0 114.014 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.82 154.55 41.73 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 118.217 1.008 . . . . 25.0 109.275 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.4 p -126.67 138.51 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.568 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.08 160.76 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.03 132.45 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 106.962 -1.496 . . . . 25.0 106.962 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tp -116.8 134.52 54.69 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -119.84 117.15 27.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 123.167 1.46 . . . . 25.0 110.947 -179.447 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 22.1 ttt . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 122.82 1.295 . . . . 25.0 113.701 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.91 169.37 42.52 Favored Glycine 0 C--N 1.337 0.619 0 O-C-N 121.173 -0.954 . . . . 25.0 111.219 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -103.92 82.65 2.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.171 0.51 . . . . 25.0 110.549 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -120.4 12.94 11.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.44 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -82.25 87.95 6.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.09 -0.381 . . . . 25.0 111.852 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.1 m80 57.86 -169.2 0.12 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.865 0.866 . . . . 25.0 112.301 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -138.73 -54.72 0.61 Allowed 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.255 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -137.86 -55.71 0.67 Allowed 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 60.16 26.98 16.42 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.686 0.755 . . . . 25.0 111.296 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -88.25 168.15 12.96 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -111.58 147.49 35.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 103.239 -2.874 . . . . 25.0 103.239 168.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -156.71 162.24 39.8 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.044 -0.724 . . . . 25.0 109.044 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.9 t 61.27 24.09 14.24 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.806 0.843 . . . . 25.0 112.312 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -76.34 158.68 31.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.68 -72.95 0.47 Allowed Glycine 0 C--O 1.218 -0.847 0 CA-C-O 119.507 -0.607 . . . . 25.0 112.005 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 52.03 50.22 18.99 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.789 0.804 . . . . 25.0 111.194 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.09 145.57 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.239 -0.891 . . . . 25.0 111.731 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.57 -18.99 39.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.475 -0.784 . . . . 25.0 111.318 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.81 -144.45 30.12 Favored Glycine 0 C--O 1.223 -0.539 0 C-N-CA 121.138 -0.553 . . . . 25.0 112.145 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 53.22 68.02 0.91 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.29 1.218 . . . . 25.0 114.29 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -141.97 167.36 22.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 171.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -133.86 172.05 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -128.08 128.2 44.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.25 149.3 42.0 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -104.24 140.87 37.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.23 126.34 72.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.03 108.4 19.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.6 -1.259 . . . . 25.0 107.6 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.8 t -97.63 116.37 29.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.953 0.406 . . . . 25.0 110.004 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.45 119.65 47.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-O 121.403 0.62 . . . . 25.0 112.204 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -97.77 136.8 37.58 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 105.369 -2.086 . . . . 25.0 105.369 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.29 -16.04 63.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.766 0.317 . . . . 25.0 111.767 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -92.12 25.24 2.95 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.879 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.7 mt 58.21 18.81 5.64 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 25.78 1.45 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.77 0.795 . . . . 25.0 110.122 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.42 153.17 41.56 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.897 -1.047 . . . . 25.0 112.172 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.87 158.49 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.647 -1.242 . . . . 25.0 107.647 -173.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -133.95 149.21 51.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 174.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -154.73 170.54 21.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.405 -1.702 . . . . 25.0 106.405 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.4 m -129.33 147.98 51.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.028 -0.36 . . . . 25.0 110.028 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.6 mt -131.37 149.05 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -106.64 134.18 50.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 m -148.44 168.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.044 -1.095 . . . . 25.0 108.044 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -87.28 166.92 14.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 172.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.02 -35.28 76.47 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 122.173 -0.33 . . . . 25.0 111.141 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -90.44 4.38 51.16 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.507 0.67 . . . . 25.0 111.997 -176.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.15 132.9 54.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.445 -0.798 . . . . 25.0 109.833 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 3.4 mp0 -68.86 147.19 52.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 25.0 111.334 -176.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -34.3 77.33 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.963 -0.46 . . . . 25.0 110.21 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -61.41 -38.59 87.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.542 0.687 . . . . 25.0 109.81 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.31 -42.65 62.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.734 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -60.76 -43.3 98.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -67.39 -29.84 69.46 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.062 -0.655 . . . . 25.0 111.155 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.23 71.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mp -62.05 -44.84 95.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.33 -0.396 . . . . 25.0 110.828 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 16.3 p -73.94 -25.32 59.9 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 119.644 -0.822 . . . . 25.0 111.358 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -67.69 -44.53 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.91 -45.04 91.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.227 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -67.98 -41.51 82.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.097 0.475 . . . . 25.0 111.428 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.3 t -77.89 -22.22 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.11 32.75 77.18 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 114.509 0.564 . . . . 25.0 114.509 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 42.2 pt -125.13 150.6 67.37 Favored Pre-proline 0 C--O 1.216 -0.702 0 CA-C-N 117.415 0.607 . . . . 25.0 110.482 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -69.89 127.87 15.11 Favored 'Trans proline' 0 C--O 1.24 0.582 0 C-N-CA 115.959 -2.227 . . . . 25.0 112.326 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.33 67.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.046 -0.409 . . . . 25.0 111.173 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.11 69.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.948 0.404 . . . . 25.0 111.875 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -97.73 13.99 28.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.221 -0.445 . . . . 25.0 111.931 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.7 p -147.85 170.93 16.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -138.12 151.64 47.97 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.9 tt -118.13 131.55 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 121.452 0.644 . . . . 25.0 109.338 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.0 t -127.72 140.27 49.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.121 -0.945 . . . . 25.0 110.4 -169.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -140.8 138.44 34.06 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.34 42.17 28.84 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.251 0.548 . . . . 25.0 110.987 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 59.76 11.71 2.61 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.059 1.503 . . . . 25.0 115.059 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -118.19 139.88 27.28 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.664 -0.647 . . . . 25.0 110.481 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -70.71 143.31 45.92 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 115.819 -2.321 . . . . 25.0 111.792 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.63 65.87 9.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.873 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 31.8 p -73.11 -42.2 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -173.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -82.57 89.09 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.929 0.871 . . . . 25.0 110.201 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -72.89 -11.98 60.79 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -171.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -80.4 -6.84 58.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -173.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -90.74 157.49 17.39 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.378 -0.374 . . . . 25.0 110.777 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.7 p -79.79 163.0 24.78 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 173.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 48.0 mt -67.67 -30.27 69.76 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.541 0.686 . . . . 25.0 110.61 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.04 69.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.695 -0.684 . . . . 25.0 111.04 175.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 26.2 t -66.58 -25.85 66.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.554 0.216 . . . . 25.0 111.146 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.49 -4.06 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.284 0.564 . . . . 25.0 109.658 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 73.58 24.4 74.81 Favored Glycine 0 C--O 1.238 0.406 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.1 mt -73.33 83.37 1.41 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.09 0.471 . . . . 25.0 110.443 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -78.97 168.57 19.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.653 0.739 . . . . 25.0 112.542 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.57 129.39 40.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.141 -0.936 . . . . 25.0 110.192 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 96.18 -11.32 67.45 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.885 -1.052 . . . . 25.0 113.878 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.85 159.3 33.96 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 118.46 1.13 . . . . 25.0 111.037 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 18.2 t -122.83 134.56 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.653 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 23.8 m -114.37 154.12 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 65.9 mt -118.44 115.49 48.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.747 0.784 . . . . 25.0 109.104 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.8 124.61 36.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.311 -2.107 . . . . 25.0 105.311 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -114.45 112.22 22.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.173 0.511 . . . . 25.0 111.294 -173.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.211 -0.941 0 CA-C-O 123.723 1.725 . . . . 25.0 111.595 175.539 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 77.1 mtm . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.71 1.243 . . . . 25.0 113.335 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.2 145.91 10.84 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-N 115.145 -0.934 . . . . 25.0 110.903 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.13 -41.17 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 -175.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.46 ' CG ' ' H ' ' A' ' 84' ' ' HIS . 8.0 t-80 60.27 -161.61 0.27 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.348 0.659 . . . . 25.0 110.312 -178.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.46 ' H ' ' CG ' ' A' ' 83' ' ' HIS . 37.5 m80 -132.63 164.08 27.48 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -137.04 141.72 42.45 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -138.0 44.69 2.16 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 -176.313 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -61.9 132.83 54.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.855 -0.611 . . . . 25.0 111.136 -177.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -153.06 160.37 42.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -156.49 143.98 19.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.946 -1.872 . . . . 25.0 105.946 177.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -154.66 146.83 23.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 118.449 0.568 . . . . 25.0 111.381 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -122.07 132.71 54.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 106.88 -1.526 . . . . 25.0 106.88 172.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.2 m -82.58 145.05 29.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.0 t -89.91 148.84 22.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.869 -1.159 . . . . 25.0 107.869 175.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -112.84 15.33 23.88 Favored Glycine 0 C--O 1.223 -0.571 0 C-N-CA 121.602 -0.333 . . . . 25.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -73.62 119.84 18.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.886 0.343 . . . . 25.0 110.508 -177.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.8 pt -136.01 168.91 21.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 178.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -75.55 -11.67 60.07 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.727 0.775 . . . . 25.0 110.855 179.381 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.86 171.91 30.22 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 109.847 -1.301 . . . . 25.0 109.847 -178.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -144.37 112.39 6.33 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -155.35 172.62 17.9 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 103.477 -2.786 . . . . 25.0 103.477 177.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.4 mtm -122.94 161.48 24.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 -178.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.7 tp -123.02 124.06 42.28 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 106.753 -1.573 . . . . 25.0 106.753 175.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -118.82 148.74 42.53 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -102.89 139.29 38.65 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 56.7 t -123.41 125.25 71.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.578 -1.268 . . . . 25.0 107.578 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 177.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.6 t -97.86 132.3 43.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 t -124.49 134.7 66.03 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 CA-C-O 121.331 0.586 . . . . 25.0 112.292 -177.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -124.72 146.59 49.09 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 173.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -69.81 -16.89 63.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.53 15.41 4.58 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.048 -0.978 . . . . 25.0 111.047 179.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.9 mt 58.18 25.29 12.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.665 1.186 . . . . 25.0 113.855 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.67 25.91 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.248 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.33 147.56 46.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.673 -0.694 . . . . 25.0 112.301 -172.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.01 151.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 -174.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -131.63 143.69 50.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -152.91 172.26 17.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -177.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -130.63 149.53 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 -179.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.2 mt -132.84 143.55 49.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.086 -0.506 . . . . 25.0 110.791 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -90.98 129.31 37.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.64 162.61 26.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.495 -175.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -89.95 167.03 13.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 178.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.36 86.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.663 -178.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -95.52 15.59 19.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.355 0.598 . . . . 25.0 111.061 -175.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.09 131.47 48.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 176.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -70.25 149.66 47.21 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.27 -0.269 . . . . 25.0 110.66 -176.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -31.19 72.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 171.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -58.56 -42.36 87.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 25.0 111.883 175.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.98 -37.76 46.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.299 0.571 . . . . 25.0 109.736 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -61.71 -43.68 98.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -65.86 -29.61 70.09 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.756 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.07 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.254 0.55 . . . . 25.0 109.635 177.115 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.85 -43.5 98.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.247 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 11.0 p -73.9 -24.45 59.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.107 -0.637 . . . . 25.0 111.419 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -66.34 -40.88 90.12 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 177.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.56 -43.69 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.007 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -67.86 -39.11 83.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.077 0.465 . . . . 25.0 111.798 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.7 m -76.46 -26.34 55.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.444 -0.343 . . . . 25.0 111.668 -177.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.79 12.72 80.85 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.469 -0.396 . . . . 25.0 114.045 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.77 132.68 19.62 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 107.321 -1.363 . . . . 25.0 107.321 -176.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.04 131.03 43.46 Favored 'Trans proline' 0 C--N 1.352 0.729 0 N-CA-C 116.504 1.694 . . . . 25.0 116.504 -176.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.82 64.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.718 -1.128 . . . . 25.0 109.792 176.361 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.45 65.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 25.0 112.186 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -98.5 22.43 9.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.925 0.393 . . . . 25.0 110.575 -179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.4 p -142.86 178.47 7.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 -174.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -129.63 144.5 51.31 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 106.749 -1.575 . . . . 25.0 106.749 174.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -126.23 132.51 70.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.247 -1.02 . . . . 25.0 108.247 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 26.5 m -129.88 152.95 38.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 123.079 0.552 . . . . 25.0 109.862 -175.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -133.81 131.59 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.89 -1.893 . . . . 25.0 105.89 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.75 43.2 28.14 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.168 0.509 . . . . 25.0 110.568 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.47 16.06 7.22 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.066 1.876 . . . . 25.0 116.066 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -125.09 142.33 40.98 Favored Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.51 148.46 42.62 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 116.639 -1.774 . . . . 25.0 114.948 -173.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.93 67.77 3.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.15 -1.055 . . . . 25.0 108.15 178.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 12.6 p -72.32 -32.43 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -85.8 88.67 7.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.103 0.477 . . . . 25.0 110.422 -175.321 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -66.97 -16.45 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.881 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -72.0 -23.94 61.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.994 -0.548 . . . . 25.0 111.754 178.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -75.65 150.44 37.96 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.793 -0.567 . . . . 25.0 110.386 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 90.3 p -81.94 164.72 21.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.3 -1.37 . . . . 25.0 107.3 170.275 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.44 -35.21 80.18 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.385 0.612 . . . . 25.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.46 -30.13 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.391 . . . . 25.0 110.716 177.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.7 m -71.42 -16.69 62.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.822 0.344 . . . . 25.0 111.671 177.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.06 -9.84 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.033 0.445 . . . . 25.0 110.096 174.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.48 21.67 63.95 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -176.381 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.81 86.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.973 0.892 . . . . 25.0 111.157 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.78 156.56 38.12 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 114.833 -1.076 . . . . 25.0 111.38 178.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -59.62 129.78 43.62 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 174.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.62 -15.05 58.87 Favored Glycine 0 C--O 1.23 -0.15 0 CA-C-N 115.607 -0.724 . . . . 25.0 113.571 -176.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -66.94 153.79 42.7 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 118.048 0.924 . . . . 25.0 110.987 178.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 20.6 t -116.38 133.47 62.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-N 115.379 -0.828 . . . . 25.0 109.795 -178.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.75 154.54 12.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 N-CA-C 106.614 -1.624 . . . . 25.0 106.614 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 81.2 mt -121.96 123.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -174.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.5 tt -109.72 127.39 54.57 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.184 -1.414 . . . . 25.0 107.184 179.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -108.18 106.45 16.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.42 0.629 . . . . 25.0 109.449 -178.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 124.155 1.931 . . . . 25.0 112.884 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 124.578 2.133 . . . . 25.0 112.787 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.78 164.67 37.86 Favored Glycine 0 C--N 1.333 0.385 0 CA-C-N 113.61 -1.632 . . . . 25.0 109.935 177.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -153.24 136.67 15.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 -179.047 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -133.21 132.72 41.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 179.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -103.61 -39.97 6.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.149 -177.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.7 m80 61.41 -165.12 0.23 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.78 0.832 . . . . 25.0 110.285 -175.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -154.32 176.59 12.12 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.105 -1.813 . . . . 25.0 106.105 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -146.59 171.34 15.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.543 -2.392 . . . . 25.0 104.543 176.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -155.45 153.17 29.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 177.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -119.51 149.6 41.63 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -179.142 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -140.36 168.15 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -176.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -152.32 171.89 17.3 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 104.691 -2.337 . . . . 25.0 104.691 176.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.5 p -146.08 156.15 43.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 177.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p -157.38 165.86 34.63 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 179.456 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.86 147.17 10.23 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 105.606 -2.998 . . . . 25.0 105.606 176.342 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -167.82 175.37 6.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.228 -1.767 . . . . 25.0 106.228 -177.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.474 HG22 ' H ' ' A' ' 97' ' ' GLU . 22.1 mt 73.46 170.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 178.299 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' H ' HG22 ' A' ' 96' ' ' ILE . 7.8 tt0 66.99 6.72 4.87 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.774 1.23 . . . . 25.0 112.582 -175.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.61 179.16 51.46 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 109.8 -1.32 . . . . 25.0 109.8 173.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -105.69 108.28 19.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.32 -0.518 . . . . 25.0 110.663 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.94 179.12 9.43 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 103.3 -2.852 . . . . 25.0 103.3 177.279 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 41.9 mtm -130.57 149.19 52.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 173.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.1 tp -111.82 130.2 55.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.199 -1.408 . . . . 25.0 107.199 175.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -124.12 144.76 49.7 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.0 m -94.22 139.57 30.87 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 178.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.0 t -125.12 130.26 73.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.59 113.0 22.1 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 177.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 71.0 m -103.17 116.58 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.903 0.382 . . . . 25.0 110.12 -177.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.07 114.5 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.057 0.456 . . . . 25.0 111.98 -177.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -84.61 147.18 27.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 169.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 -68.7 -9.31 49.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.552 0.691 . . . . 25.0 110.207 175.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.83 17.31 13.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.869 1.268 . . . . 25.0 111.691 -177.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.4 mt 58.65 15.65 3.82 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.35 26.14 0.8 Allowed 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.047 0.939 . . . . 25.0 112.03 177.361 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -72.49 150.4 43.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.551 -0.75 . . . . 25.0 112.379 -166.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.07 158.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.867 -1.16 . . . . 25.0 107.867 -171.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -137.11 149.59 47.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 175.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -157.93 177.53 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 105.313 -2.106 . . . . 25.0 105.313 -177.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.9 p -127.21 149.86 49.8 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.4 mt -125.44 147.19 49.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -102.93 131.89 49.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 177.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.86 178.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -173.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -111.51 169.71 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.249 -1.389 . . . . 25.0 107.249 171.535 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.38 90.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.29 -0.1 56.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -176.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -60.49 128.98 39.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.245 0.545 . . . . 25.0 110.946 -177.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.06 150.46 47.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.308 -175.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.07 -29.18 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.574 -0.284 . . . . 25.0 111.032 175.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -61.65 -48.2 81.94 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.368 -0.605 . . . . 25.0 109.368 177.564 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -73.63 -30.03 62.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 25.0 110.685 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.72 -47.6 77.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.08 -0.388 . . . . 25.0 110.899 177.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -68.88 -27.97 66.27 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 119.678 -0.809 . . . . 25.0 110.087 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.72 90.26 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 176.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.25 -41.01 94.72 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 177.081 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 43.7 t -61.96 -44.76 96.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 25.0 111.098 178.275 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -35.8 82.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.396 -0.19 . . . . 25.0 111.295 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.609 -0.268 . . . . 25.0 110.396 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.12 -40.41 82.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.342 0.592 . . . . 25.0 110.849 -179.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.0 t -79.35 -27.24 41.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.43 33.08 40.27 Favored Glycine 0 C--N 1.329 0.164 0 C-N-CA 121.064 -0.589 . . . . 25.0 113.24 176.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.8 pt -120.47 154.39 56.66 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.009 0.744 . . . . 25.0 113.009 -174.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.96 134.54 27.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 116.988 -1.541 . . . . 25.0 112.259 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.99 68.75 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.56 -27.38 66.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.692 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -97.04 6.41 48.64 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.325 -0.398 . . . . 25.0 111.891 -174.192 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.6 p -127.56 150.93 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.479 1.288 . . . . 25.0 114.479 -174.316 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -132.87 135.48 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 177.659 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.2 tt -109.61 130.93 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 -174.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.0 136.68 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.311 0.644 . . . . 25.0 111.623 -170.118 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -130.46 135.43 47.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 175.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 48.44 42.04 17.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.282 0.633 . . . . 25.0 112.395 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.92 25.44 15.42 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.379 1.622 . . . . 25.0 115.379 -177.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -130.22 134.63 26.33 Favored Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 121.35 -0.844 . . . . 25.0 108.767 171.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.61 146.4 54.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 116.133 -2.111 . . . . 25.0 110.664 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.59 63.96 7.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.33 0.586 . . . . 25.0 109.791 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.3 p -71.07 -30.43 66.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -82.36 72.95 9.43 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 175.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -70.46 -12.89 61.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.347 -175.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.86 -5.95 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.873 0.368 . . . . 25.0 111.774 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -86.97 156.39 19.8 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.963 -0.755 . . . . 25.0 108.963 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 94.7 p -80.68 164.89 22.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.069 174.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.18 -39.48 92.82 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.176 0.512 . . . . 25.0 110.974 177.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.97 -30.18 70.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 25.0 111.463 176.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.0 m -70.12 -16.58 63.13 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -102.0 -8.99 21.02 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 175.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 88.03 20.54 49.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-O 119.503 -0.61 . . . . 25.0 113.942 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.4 84.76 1.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.242 1.021 . . . . 25.0 110.913 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.44 161.97 30.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.161 -0.927 . . . . 25.0 111.026 177.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.1 131.09 44.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 173.269 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.87 -8.98 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.96 -0.564 . . . . 25.0 114.007 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.45 167.42 21.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.783 0.792 . . . . 25.0 110.533 179.137 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.4 p -130.59 140.6 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.786 0.803 . . . . 25.0 113.096 -173.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 26.3 t -117.12 139.46 43.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.2 mt -112.79 127.36 70.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.528 -0.915 . . . . 25.0 108.528 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.0 tt -114.2 141.84 47.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 177.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -123.7 130.2 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 175.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 123.699 1.714 . . . . 25.0 111.064 179.716 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 59.0 tpp . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 122.64 1.209 . . . . 25.0 113.193 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.2 -169.03 39.37 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 121.563 -0.711 . . . . 25.0 111.689 -177.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -152.04 140.92 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.134 -1.432 . . . . 25.0 107.134 -179.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -156.66 164.61 37.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.81 0.277 . . . . 25.0 110.634 -177.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 63.29 173.7 0.16 Allowed 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.539 1.136 . . . . 25.0 113.907 176.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 50.84 40.26 24.33 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 177.726 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -98.65 171.11 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.178 0.514 . . . . 25.0 111.539 -177.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -71.16 161.69 30.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.267 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -114.97 -76.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 25.0 110.673 178.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -158.02 175.41 13.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.998 -1.852 . . . . 25.0 105.998 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -93.62 170.06 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 176.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -139.61 160.79 39.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.508 -1.664 . . . . 25.0 106.508 177.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -128.03 -174.63 3.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.6 p -137.5 161.8 35.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 178.05 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.78 -141.25 3.48 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 108.958 -1.657 . . . . 25.0 108.958 -176.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 58.84 43.66 17.94 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.452 0.701 . . . . 25.0 112.36 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 pt -73.33 161.07 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 174.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.35 163.21 12.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.41 -0.359 . . . . 25.0 111.35 -177.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.81 156.79 27.46 Favored Glycine 0 C--O 1.223 -0.547 0 N-CA-C 110.137 -1.185 . . . . 25.0 110.137 177.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.16 118.52 20.47 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 117.53 0.665 . . . . 25.0 110.398 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -143.93 166.65 24.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 177.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 39.5 mtm -133.0 166.75 21.68 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.8 -1.556 . . . . 25.0 106.8 175.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -126.47 130.15 50.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 176.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -122.42 145.9 47.86 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -100.03 138.85 36.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 178.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t -125.12 122.77 63.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -99.28 112.94 25.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 173.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.5 t -100.26 116.57 32.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -177.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.34 125.39 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -116.24 149.14 39.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 114.685 1.365 . . . . 25.0 114.685 -171.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.98 29.07 1.43 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -175.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt 58.77 25.38 13.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.508 1.123 . . . . 25.0 112.224 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.93 25.97 1.05 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.903 -1.044 . . . . 25.0 111.435 179.268 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.4 151.69 42.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 25.0 112.807 -170.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.78 161.24 2.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.582 -1.636 . . . . 25.0 106.582 -173.335 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -129.8 145.4 51.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 174.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -154.72 176.54 12.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -176.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.5 m -131.5 151.15 51.81 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.0 148.41 49.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.421 0.451 . . . . 25.0 110.446 -177.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -98.25 128.76 44.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 176.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.67 171.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 -172.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -98.84 165.92 11.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 173.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.84 83.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.673 -0.642 . . . . 25.0 110.631 174.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -89.98 4.37 50.32 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.663 0.744 . . . . 25.0 111.893 -176.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -59.8 131.05 49.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.1 152.68 42.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 -177.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -30.72 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 172.444 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -57.27 -48.32 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.857 173.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -75.3 -33.27 61.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.316 0.579 . . . . 25.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -63.22 -45.01 93.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.071 -0.393 . . . . 25.0 112.027 179.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -28.02 66.13 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 119.868 -0.733 . . . . 25.0 110.863 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.15 69.82 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.207 0.527 . . . . 25.0 109.819 176.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 tp -63.4 -41.67 98.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.527 0.679 . . . . 25.0 109.484 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.38 -39.39 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.629 177.056 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.92 -43.63 98.33 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 122.687 0.395 . . . . 25.0 110.05 179.131 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.12 -47.44 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.634 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.74 -37.11 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.356 0.598 . . . . 25.0 112.296 -177.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 38.1 m -80.74 -22.77 39.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.078 0.399 . . . . 25.0 112.078 -177.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.14 17.85 79.14 Favored Glycine 0 CA--C 1.516 0.128 0 C-N-CA 121.063 -0.589 . . . . 25.0 112.79 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -136.57 144.37 46.97 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -63.8 130.14 26.89 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 116.512 -1.859 . . . . 25.0 113.336 -179.436 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.65 -24.62 67.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.49 67.85 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.863 -0.608 . . . . 25.0 112.209 178.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -99.04 14.1 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.085 0.469 . . . . 25.0 110.895 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 77.4 p -138.88 164.58 29.3 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -175.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.74 129.44 56.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.777 -1.194 . . . . 25.0 107.777 175.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 12.7 tt -107.54 132.68 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.5 t -127.84 138.21 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.343 -0.844 . . . . 25.0 110.746 -169.205 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -135.89 134.56 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 176.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.98 44.29 28.56 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.213 0.53 . . . . 25.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 59.97 9.71 1.88 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.279 1.585 . . . . 25.0 115.279 -178.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -117.17 134.55 23.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 121.802 -0.561 . . . . 25.0 110.441 178.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 148.27 74.3 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 115.289 -2.674 . . . . 25.0 112.186 178.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.84 112.54 24.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 56.1 p -111.6 -26.32 9.09 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.536 1.31 . . . . 25.0 114.536 -174.056 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.73 95.13 9.71 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -177.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -67.07 -29.09 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -177.114 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.97 -10.02 59.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.276 0.56 . . . . 25.0 112.168 -177.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -72.78 142.63 48.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 86.5 p -79.46 166.89 21.52 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.826 -1.176 . . . . 25.0 107.826 172.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.22 -39.77 93.92 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.095 -0.378 . . . . 25.0 110.021 178.249 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.2 69.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.4 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.6 m -71.13 -18.37 62.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -96.78 -10.58 26.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.214 -0.291 . . . . 25.0 110.214 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.43 20.82 63.47 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -174.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.67 77.21 4.19 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.941 0.877 . . . . 25.0 110.031 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -71.64 166.93 20.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.007 -1.451 . . . . 25.0 112.666 -178.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -59.25 131.36 50.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.366 -0.834 . . . . 25.0 108.926 172.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.16 70.48 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.203 -0.908 . . . . 25.0 113.079 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.24 167.22 20.57 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 118.418 1.109 . . . . 25.0 111.49 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.33 142.11 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -172.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 162.65 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 176.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 122.41 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -104.61 133.93 48.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 177.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -127.02 115.89 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.837 0.351 . . . . 25.0 111.206 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 125.235 2.445 . . . . 25.0 110.501 176.234 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 122.74 1.257 . . . . 25.0 113.634 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.61 6.16 88.81 Favored Glycine 0 C--N 1.342 0.881 0 O-C-N 121.278 -0.889 . . . . 25.0 112.505 -179.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -142.46 156.01 45.13 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 179.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -138.78 143.66 39.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.807 -1.553 . . . . 25.0 106.807 179.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 m80 50.31 44.88 26.5 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.779 0.675 . . . . 25.0 112.509 179.54 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -64.02 140.02 58.83 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -65.01 159.82 22.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.49 . . . . 25.0 110.382 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -133.17 168.68 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 -179.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -152.79 178.05 10.05 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 179.39 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -143.22 156.59 44.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.126 -1.435 . . . . 25.0 107.126 174.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -159.59 174.99 13.76 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.526 -1.657 . . . . 25.0 106.526 -179.659 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -123.16 149.01 45.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.58 -1.637 . . . . 25.0 106.58 176.073 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.5 p -153.21 -178.85 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -177.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.4 p -146.91 167.6 23.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 104.0 -2.593 . . . . 25.0 104.0 176.45 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.68 -77.43 0.23 Allowed Glycine 0 C--O 1.222 -0.646 0 C-N-CA 121.037 -0.601 . . . . 25.0 113.692 -176.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 55.77 39.07 30.77 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.603 0.716 . . . . 25.0 111.79 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.2 mm -82.33 119.47 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.26 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.56 138.48 46.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.173 0.511 . . . . 25.0 111.858 -178.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.3 11.38 60.03 Favored Glycine 0 C--O 1.226 -0.359 0 CA-C-N 115.608 -0.724 . . . . 25.0 112.402 -179.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.24 56.38 3.28 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 -174.678 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -90.22 176.24 6.83 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 104.468 -2.419 . . . . 25.0 104.468 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -125.95 167.02 15.85 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.255 -0.276 . . . . 25.0 110.255 -176.47 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.7 tp -112.6 133.53 54.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.028 -177.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.89 145.43 48.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 174.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.2 m -99.04 140.41 33.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.04 130.17 73.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 -178.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.03 114.22 25.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.1 t -97.5 130.91 44.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.9 t -119.16 131.96 70.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.173 0.511 . . . . 25.0 111.518 -177.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -113.5 152.42 30.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.209 -1.404 . . . . 25.0 107.209 172.458 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -20.39 66.2 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.046 0.45 . . . . 25.0 110.82 174.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -91.1 16.99 8.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.323 -0.853 . . . . 25.0 111.723 -177.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.3 mt 54.49 26.82 7.56 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 179.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.63 25.57 1.23 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.91 0.884 . . . . 25.0 110.093 176.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.64 149.07 44.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.878 -1.055 . . . . 25.0 112.131 -169.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.08 157.85 5.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 107.345 -1.354 . . . . 25.0 107.345 -172.049 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -134.82 149.37 50.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 175.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -157.05 175.73 13.69 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.298 -2.112 . . . . 25.0 105.298 -176.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.8 m -130.19 152.11 49.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 178.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.2 mt -128.91 147.65 50.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.097 -177.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -99.53 129.32 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.956 -1.498 . . . . 25.0 106.956 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.6 m -144.73 156.27 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 -174.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.08 163.57 20.83 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 176.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.48 91.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.27 0.557 . . . . 25.0 109.938 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -92.71 11.78 25.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.543 0.687 . . . . 25.0 112.318 -177.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -64.6 138.33 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.82 144.76 55.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.794 0.294 . . . . 25.0 111.794 -177.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.31 -34.6 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 172.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -56.54 -48.32 77.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.419 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.23 -30.81 54.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.478 -0.328 . . . . 25.0 110.753 -177.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.12 -50.35 72.26 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.064 -0.397 . . . . 25.0 110.471 177.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -66.48 -31.69 72.58 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 119.78 -0.768 . . . . 25.0 110.155 179.202 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.83 98.63 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.206 0.457 . . . . 25.0 109.86 178.273 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.18 -37.25 80.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 176.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.618 -0.512 . . . . 25.0 109.618 176.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -30.99 69.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 25.0 111.881 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.69 -47.29 75.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.681 0.277 . . . . 25.0 110.603 178.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -73.0 -34.35 66.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 25.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 72.1 p -83.02 -30.86 27.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -178.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.2 30.78 40.56 Favored Glycine 0 CA--C 1.513 -0.044 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.913 173.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -114.43 152.76 46.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 122.531 -0.394 . . . . 25.0 110.582 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.76 130.18 25.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 117.037 -1.509 . . . . 25.0 112.88 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -178.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.91 58.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 -178.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -120.58 22.95 11.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 25.0 111.104 -173.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.9 t -144.95 159.22 43.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.849 0.356 . . . . 25.0 111.128 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -132.91 152.64 51.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 173.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.1 tt -115.41 133.35 61.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 -178.05 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -122.97 135.11 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.516 -0.766 . . . . 25.0 110.875 -170.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -137.94 137.59 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.796 -1.187 . . . . 25.0 107.796 178.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.11 41.17 27.26 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.192 0.52 . . . . 25.0 110.753 -176.434 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.9 12.74 3.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.385 1.624 . . . . 25.0 115.385 -178.212 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -119.3 141.33 30.41 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 178.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.11 147.62 48.87 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 115.505 -2.53 . . . . 25.0 111.535 178.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.21 110.91 22.3 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 176.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 66.9 p -106.94 -34.83 7.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -173.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -81.99 98.79 8.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.791 0.805 . . . . 25.0 109.276 -175.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.31 -25.82 67.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.006 -176.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.6 -0.45 42.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 -175.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -91.45 151.51 20.77 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 76.5 p -83.85 167.1 17.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.593 -0.892 . . . . 25.0 108.593 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 71.7 mt -68.41 -32.86 73.2 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.988 -0.445 . . . . 25.0 111.034 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.509 174.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 43.7 m -70.78 -16.54 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 178.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -100.79 -7.26 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 176.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.57 22.07 70.78 Favored Glycine 0 C--O 1.239 0.465 0 C-N-CA 121.112 -0.566 . . . . 25.0 111.88 -176.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.93 81.41 1.67 Allowed 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.414 0.626 . . . . 25.0 110.561 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -74.32 164.0 27.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.808 -177.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.47 126.59 22.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.703 -0.681 . . . . 25.0 110.475 173.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.13 -10.07 65.54 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 119.53 -0.595 . . . . 25.0 114.584 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -70.69 160.07 33.3 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 118.294 1.047 . . . . 25.0 109.665 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.96 141.09 47.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 115.833 -0.621 . . . . 25.0 110.207 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.9 160.49 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.886 -1.153 . . . . 25.0 107.886 177.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.57 113.71 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.292 0.567 . . . . 25.0 109.473 -177.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.18 127.48 35.74 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 178.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.26 110.64 12.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.953 -0.467 . . . . 25.0 111.911 -173.225 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 125.415 2.531 . . . . 25.0 110.775 174.961 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 123.712 1.72 . . . . 25.0 114.417 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.54 144.19 18.9 Favored Glycine 0 C--O 1.22 -0.73 0 N-CA-C 109.783 -1.327 . . . . 25.0 109.783 176.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.88 -45.2 71.6 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.969 0.384 . . . . 25.0 111.747 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t60 52.47 -106.42 0.28 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.446 -0.797 . . . . 25.0 110.878 -176.366 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -155.28 173.99 15.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 175.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -119.72 168.12 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 175.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -140.54 159.17 42.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 -177.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -76.41 178.4 6.59 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.061 0.458 . . . . 25.0 110.411 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -52.47 118.77 3.82 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -178.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.23 -7.64 56.25 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.831 1.049 . . . . 25.0 113.831 -177.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 58.38 -157.28 0.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 -173.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 55.26 35.83 25.74 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.653 0.739 . . . . 25.0 111.064 -174.204 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -68.72 156.62 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.169 -0.923 . . . . 25.0 110.656 178.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 m -65.26 149.95 49.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.701 0.286 . . . . 25.0 110.336 176.516 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.76 -165.41 40.82 Favored Glycine 0 C--O 1.221 -0.711 0 N-CA-C 110.185 -1.166 . . . . 25.0 110.185 177.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -63.56 -35.55 80.84 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 111.864 0.32 . . . . 25.0 111.864 178.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.0 mt 55.78 66.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-O 122.676 1.227 . . . . 25.0 108.626 -176.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.0 134.2 50.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.977 -1.011 . . . . 25.0 109.42 179.23 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.39 165.43 36.92 Favored Glycine 0 CA--C 1.506 -0.476 0 N-CA-C 108.764 -1.734 . . . . 25.0 108.764 179.296 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.35 105.47 16.72 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 -179.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -157.6 175.81 13.44 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 -179.039 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -136.14 160.6 38.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 178.201 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.7 tp -115.26 122.96 47.57 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -177.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -112.03 152.8 27.74 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.333 -0.988 . . . . 25.0 108.333 177.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -107.93 134.87 50.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 177.28 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.39 126.41 71.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 -178.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -112.15 112.25 23.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -97.63 133.55 42.02 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.743 -0.465 . . . . 25.0 109.743 -177.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.06 132.66 70.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -175.422 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -120.87 151.33 39.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 171.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -70.14 -23.55 63.02 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.077 0.465 . . . . 25.0 111.693 -177.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.47 18.67 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.705 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 mt 59.14 29.5 19.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.458 1.103 . . . . 25.0 112.221 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 m -88.81 25.23 1.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.25 -0.886 . . . . 25.0 109.276 175.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.38 150.01 43.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.827 -1.079 . . . . 25.0 111.309 -174.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.78 151.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.08 -1.081 . . . . 25.0 108.08 -174.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.8 t -128.37 146.23 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 177.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -155.41 174.19 15.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.634 -1.617 . . . . 25.0 106.634 -176.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m -129.99 151.88 50.06 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.279 -0.267 . . . . 25.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.4 mt -131.18 141.84 50.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 25.0 111.884 -176.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -97.57 115.77 28.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.972 -1.013 . . . . 25.0 108.42 177.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.8 163.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -177.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -90.18 169.28 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 175.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.24 76.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.233 0.539 . . . . 25.0 111.63 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.26 3.1 53.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.755 -176.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -55.18 133.55 49.15 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.134 0.492 . . . . 25.0 111.678 -177.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.43 144.45 54.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.008 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -27.12 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 25.0 110.959 172.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -66.95 -44.34 80.82 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 120.895 0.378 . . . . 25.0 110.018 179.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.05 -32.41 59.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.732 0.301 . . . . 25.0 110.768 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.04 -45.81 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.707 0.632 . . . . 25.0 112.707 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.31 -28.05 68.38 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.18 -0.608 . . . . 25.0 110.542 -179.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.54 66.07 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 176.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -37.92 89.24 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.352 0.596 . . . . 25.0 109.785 176.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 74.5 m -66.4 -37.1 84.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 25.0 110.909 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 178.138 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.6 -45.03 95.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.624 0.602 . . . . 25.0 112.624 -178.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -70.06 -32.97 71.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 25.0 111.786 -178.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.0 p -92.2 -15.61 27.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -175.317 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.56 33.11 75.85 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 114.448 0.539 . . . . 25.0 114.448 177.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 24.9 pt -110.71 156.23 40.94 Favored Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 -174.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -70.4 121.08 7.65 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 115.835 -2.31 . . . . 25.0 110.755 172.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.2 -36.8 76.0 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.819 -0.551 . . . . 25.0 112.171 -178.471 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.59 -24.7 67.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -177.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.95 15.62 28.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.76 0.314 . . . . 25.0 111.296 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.3 p -132.73 158.06 43.32 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -175.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -135.38 151.61 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.423 -0.808 . . . . 25.0 109.48 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -127.9 135.81 61.97 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-O 121.233 0.54 . . . . 25.0 110.396 -175.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.3 153.12 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.855 -0.612 . . . . 25.0 110.617 -176.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -140.66 137.52 33.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.931 -1.877 . . . . 25.0 105.931 178.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 37.8 23.95 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.389 0.614 . . . . 25.0 110.064 -174.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 58.14 22.64 9.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.478 1.288 . . . . 25.0 114.478 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -125.04 145.58 50.79 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 179.043 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.22 146.87 52.37 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 116.951 -1.566 . . . . 25.0 114.798 -175.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 49.6 mt -103.25 96.76 6.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.185 -0.916 . . . . 25.0 108.621 178.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 39.2 p -112.3 -43.1 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.596 1.702 . . . . 25.0 115.596 -174.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.5 113.72 3.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 -168.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -73.82 -7.46 52.3 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 170.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -82.45 3.54 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 48.9 mtt85 -128.67 143.64 50.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.484 0.659 . . . . 25.0 112.59 -178.091 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 67.1 p -88.16 169.65 11.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 171.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.43 -35.76 81.1 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-O 121.317 0.579 . . . . 25.0 110.862 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.19 -28.82 69.41 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 121.953 -0.467 . . . . 25.0 111.516 175.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.6 t -70.05 -17.62 63.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -95.78 -7.67 36.5 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 175.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.55 21.35 62.2 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.196 -0.762 . . . . 25.0 111.196 -175.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.55 85.7 0.87 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.331 0.565 . . . . 25.0 109.532 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.15 165.34 19.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.634 -0.712 . . . . 25.0 111.945 -178.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.03 126.8 27.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.906 -0.776 . . . . 25.0 108.906 174.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 100.74 -12.03 59.36 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.217 -0.902 . . . . 25.0 114.521 -179.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.45 150.46 48.9 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 118.42 1.11 . . . . 25.0 111.46 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.01 125.29 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 25.0 110.003 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 20.6 t -107.07 140.81 23.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 106.386 -1.709 . . . . 25.0 106.386 179.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.8 mt -111.95 130.03 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 -178.088 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.14 134.53 55.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 -179.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -123.61 127.95 48.99 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 179.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.812 0 CA-C-O 123.39 1.567 . . . . 25.0 109.595 176.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 122.502 1.144 . . . . 25.0 112.52 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.47 12.89 82.5 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 120.989 -1.069 . . . . 25.0 111.315 -176.241 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -69.34 137.27 52.77 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 122.924 0.489 . . . . 25.0 112.066 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -117.07 103.13 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 177.438 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -82.08 -23.06 35.99 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 116.743 2.127 . . . . 25.0 116.743 -170.51 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.0 m80 38.52 58.26 1.66 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.909 1.818 . . . . 25.0 115.909 178.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 55.98 55.35 7.0 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.647 0.737 . . . . 25.0 111.706 -179.134 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -55.73 118.57 4.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.321 -0.854 . . . . 25.0 111.789 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -119.29 160.97 21.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.056 -1.09 . . . . 25.0 108.056 177.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 57.42 -154.35 0.35 Allowed 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.923 0.764 . . . . 25.0 111.934 178.278 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -153.68 172.66 16.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.441 -2.429 . . . . 25.0 104.441 -178.472 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -109.41 -50.63 2.97 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.599 0.182 . . . . 25.0 111.149 178.088 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m 61.7 170.97 0.12 Allowed 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.693 0.998 . . . . 25.0 113.693 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.0 p -162.31 171.42 17.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.914 -1.884 . . . . 25.0 105.914 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.19 157.75 23.79 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 109.551 -1.42 . . . . 25.0 109.551 177.178 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -163.04 172.04 15.57 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.527 -2.027 . . . . 25.0 105.527 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.0 pt -120.99 163.2 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 176.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -107.22 -37.68 6.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 178.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.11 -171.73 50.7 Favored Glycine 0 C--O 1.214 -1.114 0 C-N-CA 121.307 -0.473 . . . . 25.0 113.212 175.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 55.36 27.4 9.93 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 114.494 1.294 . . . . 25.0 114.494 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 122' ' ' ASP . 25.9 p80 -101.72 166.02 10.9 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 106.863 -1.532 . . . . 25.0 106.863 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -130.07 179.95 5.58 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 106.527 -1.656 . . . . 25.0 106.527 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.32 130.38 53.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 117.949 0.341 . . . . 25.0 111.225 -177.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.82 156.08 40.11 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 176.195 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.8 m -109.05 142.29 39.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 177.083 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.15 125.83 69.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -106.95 111.55 24.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 175.641 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.45 128.82 44.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.51 124.39 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.76 0.314 . . . . 25.0 110.814 -178.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.531 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 42.3 mtp180 -116.23 146.32 42.44 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 176.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -65.1 -14.54 60.76 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.069 0.461 . . . . 25.0 111.647 177.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.38 15.95 3.36 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 124.16 0.984 . . . . 25.0 112.667 -176.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.8 mt 56.05 25.71 9.2 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.331 1.052 . . . . 25.0 112.155 -176.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 18.4 m -99.36 25.87 6.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.966 -1.015 . . . . 25.0 109.203 -179.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -72.32 145.33 47.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.842 -174.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.19 150.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 -171.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -125.14 143.61 50.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 176.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.86 170.84 19.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 -176.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.8 m -126.09 149.27 49.02 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 mt -129.41 144.78 51.39 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.982 -176.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -96.19 124.99 40.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 173.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.57 155.36 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 -175.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 100' ' ' HIS . 2.7 t70 -79.49 165.2 23.27 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 119.976 -0.69 . . . . 25.0 110.09 178.538 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.84 92.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.153 0.502 . . . . 25.0 109.939 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.38 14.56 25.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.23 0.538 . . . . 25.0 112.045 -176.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.87 128.49 37.13 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.86 152.56 37.18 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -175.263 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.64 -29.59 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.93 -0.481 . . . . 25.0 110.67 176.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -57.62 -48.29 79.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 176.301 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -69.57 -37.69 77.09 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.396 -0.82 . . . . 25.0 111.371 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -66.6 -36.89 83.71 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.117 0.484 . . . . 25.0 110.147 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.9 88.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 25.0 110.601 177.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -66.7 -34.75 78.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.52 0.676 . . . . 25.0 110.463 178.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.54 -37.19 86.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 25.0 111.152 175.305 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.322 -0.622 . . . . 25.0 109.322 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 42.9 tp -60.46 -46.02 91.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 25.0 112.345 -177.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -73.81 -40.43 63.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -178.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.3 t -85.31 -18.32 34.21 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -173.536 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.05 29.19 74.23 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.369 -0.443 . . . . 25.0 113.888 -179.4 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.1 pp -129.57 142.48 45.42 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 122.25 -0.559 . . . . 25.0 111.168 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.44 119.26 6.26 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 116.73 -1.713 . . . . 25.0 112.572 177.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.87 67.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.38 73.99 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -88.17 13.91 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.039 0.447 . . . . 25.0 110.94 -177.817 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.4 m -137.31 159.2 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -173.592 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 141.85 48.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 175.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.1 tt -117.06 138.51 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -177.018 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.0 p -141.54 144.39 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.412 0.685 . . . . 25.0 109.919 -173.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -148.12 137.25 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.971 -1.492 . . . . 25.0 106.971 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.33 42.68 26.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.98 0.419 . . . . 25.0 110.689 -176.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 59.88 9.72 1.83 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 -179.03 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -116.93 141.57 28.51 Favored Pre-proline 0 N--CA 1.467 0.406 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.265 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.44 152.05 60.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 116.236 -2.042 . . . . 25.0 113.177 -176.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.5 mt -108.93 49.62 0.81 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.003 -1.11 . . . . 25.0 108.003 177.502 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -94.59 -11.66 29.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.46 -0.791 . . . . 25.0 112.307 -176.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.73 85.83 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.734 0.778 . . . . 25.0 108.938 178.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -62.71 -12.99 27.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 115.308 1.596 . . . . 25.0 115.308 -172.141 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -85.81 8.54 19.63 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.793 1.405 . . . . 25.0 114.793 -174.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -120.49 151.54 39.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.832 -0.542 . . . . 25.0 110.968 -179.056 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 72.4 p -85.11 163.21 18.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.41 0.444 . . . . 25.0 110.411 177.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.5 mt -68.06 -32.96 73.66 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 121.515 0.674 . . . . 25.0 112.209 -175.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -30.06 70.18 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.545 174.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.1 m -68.5 -16.51 63.91 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -100.41 -4.56 28.73 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 177.025 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.08 59.1 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.43 -1.068 . . . . 25.0 110.43 -176.097 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.42 85.41 1.5 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.721 0.772 . . . . 25.0 109.878 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.57 160.86 30.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.625 -1.171 . . . . 25.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.41 128.63 38.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.715 -0.846 . . . . 25.0 108.715 173.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.18 -10.54 63.63 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.506 -0.77 . . . . 25.0 114.217 -178.278 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -70.71 153.66 42.59 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 118.357 1.078 . . . . 25.0 109.35 176.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.83 137.66 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 25.0 109.77 -178.448 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.24 161.19 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.5 mt -123.93 133.15 70.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 -178.324 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.7 tt -119.65 134.62 55.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 176.38 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -126.16 128.46 47.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.113 0.483 . . . . 25.0 110.68 -179.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 125.666 2.65 . . . . 25.0 110.849 177.596 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 57.2 mtt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 122.895 1.331 . . . . 25.0 113.599 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.56 167.18 38.0 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 114.975 -1.012 . . . . 25.0 111.375 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -159.11 167.45 29.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.013 -1.477 . . . . 25.0 107.013 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -153.93 152.12 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 177.214 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -146.63 118.21 8.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 178.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.06 145.46 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 177.09 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -155.17 140.0 17.19 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.854 -1.165 . . . . 25.0 107.854 178.004 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -153.75 139.86 18.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -143.96 165.1 28.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.357 -1.72 . . . . 25.0 106.357 172.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -147.45 160.79 42.18 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 102.999 -2.963 . . . . 25.0 102.999 175.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -146.38 153.23 40.26 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -172.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -145.62 155.27 42.92 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.4 m -137.19 150.41 47.88 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 179.081 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.6 t -152.43 167.29 29.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 105.129 -2.174 . . . . 25.0 105.129 -179.244 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 152.17 46.63 0.02 OUTLIER Glycine 0 C--O 1.217 -0.952 0 C-N-CA 121.032 -0.604 . . . . 25.0 113.357 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -144.2 167.77 21.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 55.2 mt 78.28 96.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 125.754 1.622 . . . . 25.0 110.771 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -91.62 -8.05 48.34 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.133 -0.94 . . . . 25.0 110.258 178.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.06 -164.9 13.7 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 110.284 -1.127 . . . . 25.0 110.284 -177.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.93 37.74 0.1 Allowed 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 121.428 0.632 . . . . 25.0 110.438 177.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -149.31 174.63 12.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 104.345 -2.465 . . . . 25.0 104.345 -178.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -123.73 -180.0 4.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -131.68 130.55 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 -177.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -122.95 147.73 46.28 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 37.9 m -100.27 144.21 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.2 t -125.04 129.28 73.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 179.195 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -113.72 106.89 15.03 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.207 -1.034 . . . . 25.0 108.207 176.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 33.7 t -96.33 128.08 42.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 -176.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.63 131.59 70.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.757 0 CA-C-O 121.594 0.711 . . . . 25.0 111.591 -175.042 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -122.62 143.75 49.56 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 173.133 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -66.52 -12.94 60.06 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.376 0.509 . . . . 25.0 112.376 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.02 19.2 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.911 -178.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt 54.58 28.78 10.32 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.677 1.191 . . . . 25.0 112.435 -178.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.56 24.88 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.443 174.514 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.15 147.84 46.24 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.415 -174.071 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.81 149.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 107.054 -1.461 . . . . 25.0 107.054 -174.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -132.19 144.5 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.306 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -155.38 175.33 14.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 -174.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -129.41 154.3 47.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.983 0.356 . . . . 25.0 110.052 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.7 mt -128.67 144.02 51.07 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.003 0.43 . . . . 25.0 111.575 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -90.89 126.82 36.16 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.928 -1.508 . . . . 25.0 106.928 176.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.42 161.43 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 -174.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -90.92 171.31 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 176.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.29 68.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.579 0.704 . . . . 25.0 110.771 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -87.35 1.66 52.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.881 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.51 130.05 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.75 151.92 43.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.618 0.247 . . . . 25.0 111.058 -177.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.0 -31.39 72.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.25 0.548 . . . . 25.0 109.961 172.006 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -60.1 -42.17 94.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.712 -0.676 . . . . 25.0 110.523 178.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -78.14 -35.23 49.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.823 0.82 . . . . 25.0 110.175 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.98 -45.15 95.94 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.901 -0.499 . . . . 25.0 111.928 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -68.58 -24.97 64.66 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.217 -0.593 . . . . 25.0 112.074 178.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.83 69.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 176.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.09 -43.3 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.79 -0.569 . . . . 25.0 111.629 177.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.7 p -70.92 -25.78 62.91 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.206 -0.998 . . . . 25.0 111.388 -178.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.39 -49.73 65.84 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 175.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.72 -47.02 87.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.504 -0.771 . . . . 25.0 111.992 -178.452 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -69.45 -38.12 77.65 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -177.169 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.2 t -89.22 -16.06 32.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.654 0.983 . . . . 25.0 113.654 -176.311 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.58 31.74 77.06 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.282 -0.485 . . . . 25.0 113.9 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 pp -124.84 135.18 26.39 Favored Pre-proline 0 N--CA 1.468 0.463 0 O-C-N 122.372 -0.487 . . . . 25.0 110.519 -179.418 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.04 129.7 29.73 Favored 'Trans proline' 0 C--O 1.241 0.634 0 C-N-CA 116.82 -1.653 . . . . 25.0 114.268 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.43 -27.6 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.528 . . . . 25.0 111.743 179.086 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -178.688 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -101.79 9.48 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 -174.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 m -136.97 152.49 50.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -173.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -116.34 148.32 40.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.113 -0.494 . . . . 25.0 109.785 -178.654 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.467 HG12 HD12 ' A' ' 154' ' ' LEU . 19.1 tt -126.2 136.58 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.304 0.573 . . . . 25.0 110.829 -176.197 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.9 p -141.7 144.79 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-N 115.782 -0.645 . . . . 25.0 109.577 -173.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -142.62 138.56 30.8 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 179.028 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.15 39.88 24.54 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.691 0.758 . . . . 25.0 111.433 -178.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 57.41 20.95 6.39 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.677 -1.147 . . . . 25.0 113.962 -178.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -125.11 143.6 44.7 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 175.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.43 146.33 49.92 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 116.582 -1.812 . . . . 25.0 113.015 -176.191 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.467 HD12 HG12 ' A' ' 147' ' ' ILE . 48.1 mt -96.49 64.13 2.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 177.015 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.6 p -96.59 -22.57 16.97 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 115.557 1.688 . . . . 25.0 115.557 -173.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.73 76.16 10.24 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 -177.64 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.21 -11.3 20.09 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 115.159 1.54 . . . . 25.0 115.159 -171.293 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.27 -7.19 58.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -94.59 152.84 18.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.956 -0.465 . . . . 25.0 111.295 -178.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 80.7 p -79.98 161.58 25.39 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 174.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 45.6 mt -65.15 -34.9 79.5 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 121.123 0.487 . . . . 25.0 110.983 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.43 68.74 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.375 175.225 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 46.1 m -70.32 -16.71 63.03 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -99.08 -3.63 34.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.951 0.405 . . . . 25.0 110.018 176.338 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 75.9 25.48 66.86 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.511 -1.036 . . . . 25.0 110.511 -175.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.2 86.28 3.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -81.6 166.81 19.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.16 -0.927 . . . . 25.0 110.506 179.015 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -56.96 127.9 34.18 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.829 -0.623 . . . . 25.0 110.711 178.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 98.4 -14.57 62.09 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.331 -0.85 . . . . 25.0 113.059 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -67.43 148.72 51.2 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 118.036 0.918 . . . . 25.0 109.383 178.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -120.05 134.92 62.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.836 -175.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 14.9 m -110.51 159.01 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 95.4 mt -118.38 131.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -178.709 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.6 tt -117.07 132.53 56.66 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.23 125.44 41.0 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.091 -0.381 . . . . 25.0 110.245 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 124.193 1.949 . . . . 25.0 111.036 177.188 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 123.959 1.838 . . . . 25.0 114.189 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.09 -167.59 12.36 Favored Glycine 0 C--N 1.34 0.759 0 N-CA-C 110.009 -1.236 . . . . 25.0 110.009 -177.646 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -94.08 141.07 28.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 179.136 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -71.76 -14.68 62.07 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.748 1.018 . . . . 25.0 113.748 -175.34 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -120.8 140.89 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.035 -0.416 . . . . 25.0 111.157 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -91.39 162.94 14.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 177.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -149.15 143.0 25.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.741 0.305 . . . . 25.0 111.438 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -148.97 140.61 23.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 104.171 -2.529 . . . . 25.0 104.171 171.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -110.99 157.75 19.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.649 0.262 . . . . 25.0 110.853 -177.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -116.89 98.65 6.61 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 177.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -86.73 154.91 20.6 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.066 -1.086 . . . . 25.0 108.066 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -116.08 161.42 18.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 178.207 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.5 m -84.97 141.89 30.02 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.442 -0.947 . . . . 25.0 108.442 175.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m -119.59 4.7 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.186 0.439 . . . . 25.0 112.186 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.09 -178.22 47.4 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 109.327 -1.509 . . . . 25.0 109.327 -177.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -74.46 157.05 36.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.039 0.42 . . . . 25.0 110.15 179.006 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 pt -121.23 0.2 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 122.352 1.072 . . . . 25.0 108.61 177.006 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -76.64 158.43 31.08 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.463 -1.244 . . . . 25.0 108.97 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.04 -146.88 17.0 Favored Glycine 0 C--O 1.227 -0.288 0 N-CA-C 108.581 -1.808 . . . . 25.0 108.581 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 63.09 26.11 15.24 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.375 1.07 . . . . 25.0 113.29 177.173 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -105.0 163.27 12.66 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 106.109 -1.811 . . . . 25.0 106.109 177.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -129.76 172.08 12.01 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -121.86 134.03 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.7 mt -122.37 152.0 40.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.767 -1.197 . . . . 25.0 107.767 176.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 m -103.37 135.82 44.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 176.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.36 122.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -179.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -107.78 113.0 25.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.506 -0.77 . . . . 25.0 109.093 -179.096 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.8 t -97.6 125.36 42.3 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.96 128.44 74.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-O 121.231 0.539 . . . . 25.0 110.842 -176.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -114.7 147.12 40.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 105.653 -1.98 . . . . 25.0 105.653 172.248 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -59.15 -29.21 67.26 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.124 0.786 . . . . 25.0 113.124 -175.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.94 22.24 1.74 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.668 -0.697 . . . . 25.0 112.714 -176.349 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt 55.33 34.09 22.13 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.463 1.105 . . . . 25.0 112.108 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 m -92.8 26.08 2.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.381 -1.281 . . . . 25.0 108.904 176.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.51 151.98 42.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.44 -1.254 . . . . 25.0 112.843 -170.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -149.55 150.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -176.144 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 t -128.42 144.18 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 177.081 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -153.04 174.26 14.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.297 -1.742 . . . . 25.0 106.297 -176.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -128.8 150.8 50.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.39 143.68 50.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.131 -0.486 . . . . 25.0 110.417 -178.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -103.95 125.05 50.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 178.407 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.85 164.8 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 -172.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -80.3 159.04 25.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 174.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.72 88.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 176.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -93.15 15.51 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.608 0.718 . . . . 25.0 112.306 -176.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.54 136.68 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 178.189 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.25 142.8 56.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.147 -0.345 . . . . 25.0 110.584 -178.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.8 -29.79 70.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.095 -1.076 . . . . 25.0 108.095 172.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.19 -48.32 79.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.489 175.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.23 -31.42 58.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.877 -0.329 . . . . 25.0 110.366 178.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.68 -42.87 99.85 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -65.67 -31.83 73.06 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 119.843 -0.743 . . . . 25.0 110.659 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.0 -37.06 67.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.435 0.636 . . . . 25.0 109.912 177.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.84 -37.16 86.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.148 0.499 . . . . 25.0 110.117 178.472 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.27 -35.23 75.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.823 0.344 . . . . 25.0 110.628 176.311 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -37.26 86.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.954 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.96 -49.81 73.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.395 . . . . 25.0 110.579 178.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.29 -40.12 81.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.085 0.469 . . . . 25.0 112.146 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.0 t -84.89 -15.57 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.325 0.861 . . . . 25.0 113.325 -174.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.21 30.49 67.27 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.153 -0.546 . . . . 25.0 114.289 176.321 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.8 pt -135.44 147.05 60.27 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 -178.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.94 135.91 46.27 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 116.722 -1.719 . . . . 25.0 114.519 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.53 -29.26 70.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.367 0.603 . . . . 25.0 109.686 175.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.22 65.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.276 -179.343 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -102.64 11.36 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.893 0.331 . . . . 25.0 111.893 -176.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.5 p -130.25 157.79 41.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.613 0.721 . . . . 25.0 112.0 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -117.24 131.09 56.91 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.57 129.46 68.11 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.612 -0.722 . . . . 25.0 109.506 -176.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 66.3 t -132.76 138.71 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.811 0.844 . . . . 25.0 110.614 -169.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -139.38 140.11 37.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.128 -1.064 . . . . 25.0 108.128 176.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.69 42.95 24.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.219 0.608 . . . . 25.0 111.502 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 60.77 18.71 8.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.761 1.763 . . . . 25.0 115.761 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -130.25 140.09 37.61 Favored Pre-proline 0 N--CA 1.473 0.72 0 O-C-N 121.14 -0.975 . . . . 25.0 109.436 174.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.05 146.16 57.58 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 116.071 -2.152 . . . . 25.0 110.976 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.63 74.08 9.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 37.1 p -72.29 -35.69 68.75 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -174.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -82.69 98.79 9.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.393 0.616 . . . . 25.0 109.906 -173.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -70.85 -24.54 62.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.744 -178.129 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -73.0 -18.9 61.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.68 148.05 38.97 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 78.1 p -84.27 168.32 15.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 170.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.25 -35.37 80.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.918 -0.489 . . . . 25.0 110.8 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.25 71.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.826 175.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 42.9 m -70.69 -16.47 62.8 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.089 0.403 . . . . 25.0 112.089 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.16 -9.38 27.97 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 174.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 79.56 26.62 56.44 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.967 -0.853 . . . . 25.0 110.967 -175.208 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.69 82.05 2.66 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 121.695 0.759 . . . . 25.0 110.432 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -69.44 160.55 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.738 -1.119 . . . . 25.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -57.42 129.23 40.87 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.071 -0.968 . . . . 25.0 110.116 174.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 93.72 -9.89 73.04 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.045 -0.98 . . . . 25.0 113.702 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 162.26 28.68 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 118.336 1.068 . . . . 25.0 111.67 -179.462 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.37 130.63 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 -171.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.9 t -107.48 137.49 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 177.103 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.8 mt -109.26 126.73 66.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 179.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 7.7 tt -118.15 133.34 55.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.151 -1.425 . . . . 25.0 107.151 -178.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -119.25 132.56 55.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.196 0.522 . . . . 25.0 111.805 -178.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 114.881 -1.054 . . . . 25.0 108.655 173.573 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 122.566 1.174 . . . . 25.0 113.106 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.73 -39.48 2.71 Favored Glycine 0 C--N 1.342 0.892 0 O-C-N 121.135 -0.978 . . . . 25.0 111.784 -176.851 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 57.41 20.92 6.37 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 115.135 1.531 . . . . 25.0 115.135 173.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -140.42 130.48 24.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.768 0.318 . . . . 25.0 110.484 177.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -157.09 84.39 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.084 -1.45 . . . . 25.0 107.084 175.123 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -71.56 167.84 18.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.361 -0.536 . . . . 25.0 110.377 -178.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -140.86 -56.43 0.51 Allowed 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.21 179.37 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.9 m170 54.25 25.57 5.96 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 175.208 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -73.11 148.19 44.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.464 -0.773 . . . . 25.0 109.46 177.135 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -138.02 60.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 179.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -136.17 165.61 25.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -177.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -141.26 156.32 45.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 178.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 p -87.57 172.28 9.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.451 -0.574 . . . . 25.0 109.451 178.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -147.35 -55.95 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 176.351 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.37 -163.83 24.21 Favored Glycine 0 C--O 1.226 -0.395 0 N-CA-C 111.298 -0.721 . . . . 25.0 111.298 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -159.59 159.39 33.15 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.365 -2.457 . . . . 25.0 104.365 -179.351 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -141.46 150.69 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.316 -1.364 . . . . 25.0 107.316 177.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -134.48 156.99 47.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 105.768 -1.938 . . . . 25.0 105.768 179.284 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.12 -174.33 46.35 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 109.517 -1.433 . . . . 25.0 109.517 -178.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -132.83 128.71 37.28 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.696 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.25 169.44 18.22 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 102.308 -3.219 . . . . 25.0 102.308 175.06 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -142.72 168.93 18.55 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -176.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.0 tp -122.05 130.64 53.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -178.331 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -121.06 148.77 43.7 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 177.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -99.53 143.38 29.83 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.836 -1.172 . . . . 25.0 107.836 178.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.7 t -125.11 129.46 73.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -119.49 110.85 17.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 76.3 m -97.56 124.22 41.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -114.18 132.74 62.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.066 0.46 . . . . 25.0 111.722 -174.317 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -116.86 145.63 43.44 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 105.612 -1.996 . . . . 25.0 105.612 170.209 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.89 -9.15 57.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.149 0.5 . . . . 25.0 110.581 176.381 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -99.7 25.23 7.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.952 -173.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt 52.82 38.57 26.98 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 25.0 113.539 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.65 23.53 14.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.224 -178.716 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -72.18 153.21 41.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.797 0.808 . . . . 25.0 113.153 -171.157 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.7 p -146.8 152.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.633 -1.617 . . . . 25.0 106.633 -177.726 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -139.19 148.16 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.641 -1.244 . . . . 25.0 107.641 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -157.73 177.64 11.15 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.872 -1.899 . . . . 25.0 105.872 -176.389 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.3 m -129.39 151.07 50.43 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 179.109 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.1 mt -124.81 146.44 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.405 0.441 . . . . 25.0 109.996 -177.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.51 124.14 46.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 178.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.1 m -144.19 165.69 13.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.147 -0.479 . . . . 25.0 111.01 -171.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.546 -0.909 . . . . 25.0 108.546 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.05 80.59 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.87 -0.519 . . . . 25.0 109.986 175.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -94.33 13.46 23.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.507 0.67 . . . . 25.0 112.076 -176.676 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -63.73 129.55 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 178.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.25 148.15 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.655 -177.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 154' ' ' LEU . 1.1 mm? -65.2 -31.36 72.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.643 -0.423 . . . . 25.0 110.621 175.387 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.23 -48.29 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 177.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.37 -31.56 65.69 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.44 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.1 -43.47 95.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.78 -0.575 . . . . 25.0 112.089 177.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -68.09 -36.17 79.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.188 0.518 . . . . 25.0 109.73 179.181 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.6 94.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.995 -1.002 . . . . 25.0 110.573 176.122 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.88 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.554 0.692 . . . . 25.0 109.726 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 45.9 t -62.57 -42.84 99.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.927 176.051 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.92 -42.1 98.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.981 -0.377 . . . . 25.0 109.981 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.32 -48.17 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.452 . . . . 25.0 111.987 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -30.52 59.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -176.825 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.0 p -87.42 -26.23 23.39 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -176.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 74.68 10.7 83.17 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.832 -0.699 . . . . 25.0 114.767 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.32 141.02 26.53 Favored Pre-proline 0 N--CA 1.47 0.541 0 CA-C-N 117.746 0.773 . . . . 25.0 109.233 178.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.5 127.74 22.69 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 115.289 1.226 . . . . 25.0 115.289 -175.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.07 -24.63 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 174.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.07 68.99 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.015 -0.539 . . . . 25.0 111.635 178.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -101.23 12.23 37.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.539 -0.3 . . . . 25.0 110.514 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.1 m -129.68 160.18 34.16 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -171.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -133.49 153.52 51.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 16.8 tt -128.06 137.8 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-O 120.971 0.415 . . . . 25.0 110.376 -174.035 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.77 146.12 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.278 0.631 . . . . 25.0 109.595 -173.453 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -147.51 139.89 24.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 179.457 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.41 41.61 25.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.264 0.554 . . . . 25.0 110.655 -178.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 60.16 13.96 4.2 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.967 1.469 . . . . 25.0 114.967 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -126.62 143.74 47.38 Favored Pre-proline 0 N--CA 1.472 0.633 0 O-C-N 121.78 -0.575 . . . . 25.0 110.25 178.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.09 152.28 45.44 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 115.802 -2.332 . . . . 25.0 112.967 -176.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 127' ' ' LEU . 53.6 mt -93.48 61.28 3.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 176.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -39.18 70.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -172.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -79.74 95.76 6.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 -175.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -70.52 -20.08 62.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.194 -0.912 . . . . 25.0 112.855 -174.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -83.01 -4.52 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 -177.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.21 149.22 25.24 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.3 m -79.58 164.83 23.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.77 -0.456 . . . . 25.0 109.77 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.5 mt -60.95 -38.96 87.73 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.309 0.576 . . . . 25.0 111.032 177.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.68 -30.13 67.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.884 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.5 t -70.97 -17.41 62.66 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.201 0.445 . . . . 25.0 112.201 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -100.28 -5.41 27.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 175.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.24 17.43 71.71 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.504 -0.638 . . . . 25.0 111.504 -176.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 18.4 mt -74.21 84.18 1.86 Allowed 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.203 0.525 . . . . 25.0 110.169 -178.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.31 170.46 10.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.25 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.23 125.85 22.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 25.0 110.397 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 106.31 -17.71 40.01 Favored Glycine 0 CA--C 1.517 0.192 0 CA-C-N 115.171 -0.922 . . . . 25.0 113.563 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.07 156.79 38.06 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 117.754 0.777 . . . . 25.0 110.44 177.341 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.82 135.47 62.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.447 -0.797 . . . . 25.0 109.634 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.96 158.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 107.601 -1.259 . . . . 25.0 107.601 177.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.46 129.58 75.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.396 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.41 139.66 49.31 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.806 -1.553 . . . . 25.0 106.806 177.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -122.15 127.25 49.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 176.258 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 124.114 1.912 . . . . 25.0 109.183 173.578 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 123.426 1.584 . . . . 25.0 114.5 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.81 15.33 64.41 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 114.965 -1.016 . . . . 25.0 115.537 176.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -65.86 135.41 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.593 0.696 . . . . 25.0 109.682 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -79.47 56.15 2.1 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -176.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -73.62 152.13 40.63 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 179.387 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -64.48 138.43 58.41 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.698 -0.852 . . . . 25.0 108.698 176.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.83 -40.38 91.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.988 0.423 . . . . 25.0 110.02 177.668 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -152.28 -53.76 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 25.0 112.328 178.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -153.89 -179.3 7.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.2 -56.09 2.11 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 173.738 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -159.06 161.51 36.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 179.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -153.06 33.84 0.47 Allowed 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.363 0.601 . . . . 25.0 112.0 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.0 t -81.69 122.94 28.27 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.7 p -162.0 170.24 19.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.826 -1.176 . . . . 25.0 107.826 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.02 160.4 10.09 Favored Glycine 0 C--O 1.228 -0.268 0 N-CA-C 111.85 -0.5 . . . . 25.0 111.85 177.842 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -161.2 174.13 14.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 179.372 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.0 mt -128.8 148.63 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 102.839 -3.022 . . . . 25.0 102.839 175.297 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -135.23 161.52 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 178.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.61 -176.57 23.68 Favored Glycine 0 C--O 1.229 -0.174 0 N-CA-C 111.12 -0.792 . . . . 25.0 111.12 -178.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -141.25 163.29 33.35 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -161.41 169.39 22.03 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.71 -1.959 . . . . 25.0 105.71 176.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -138.62 159.57 41.77 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 105.909 -1.885 . . . . 25.0 105.909 177.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -114.61 129.27 56.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.656 -0.247 . . . . 25.0 110.62 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.29 152.58 41.24 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 177.253 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.8 m -102.2 142.56 33.26 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.1 127.6 72.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.69 -1.226 . . . . 25.0 107.69 176.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -114.98 115.0 26.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 179.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.9 t -104.12 116.59 32.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.864 0.364 . . . . 25.0 111.089 -178.649 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.0 t -98.57 128.55 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -109.77 150.59 28.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.863 -1.903 . . . . 25.0 105.863 171.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -53.01 -40.52 63.91 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -178.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.28 22.8 1.41 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 -173.649 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.7 mt 60.37 26.24 15.77 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 122.35 1.071 . . . . 25.0 110.836 -179.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -85.53 25.95 0.99 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.273 -1.33 . . . . 25.0 108.547 175.449 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -72.39 155.85 39.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.798 -171.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.28 156.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.143 -1.429 . . . . 25.0 107.143 -174.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -138.78 149.66 45.25 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -156.33 175.66 13.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.366 -2.087 . . . . 25.0 105.366 -176.085 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.2 m -125.87 151.71 46.49 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 39.0 mt -123.55 139.92 53.52 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.177 0.513 . . . . 25.0 110.433 -178.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -104.1 112.91 26.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.2 m -137.12 166.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.486 -0.325 . . . . 25.0 110.264 -172.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -81.31 159.69 24.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 175.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.83 88.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 176.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -92.28 13.68 18.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.384 0.612 . . . . 25.0 112.452 -176.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -63.05 134.12 55.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.204 -1.036 . . . . 25.0 108.204 177.833 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.79 147.67 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.223 -0.298 . . . . 25.0 110.98 -178.119 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -62.51 -37.41 85.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 172.028 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -56.17 -43.56 78.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.159 0.504 . . . . 25.0 111.357 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.95 -33.21 51.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.066 -179.16 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.47 -44.89 89.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 179.33 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -27.89 69.16 Favored 'General case' 0 C--O 1.216 -0.698 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.738 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -40.3 62.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.48 0.657 . . . . 25.0 109.673 175.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.57 -39.66 94.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.141 -177.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 23.2 p -73.66 -25.33 60.21 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.718 -0.614 . . . . 25.0 111.265 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -35.52 77.65 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 178.668 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.53 -47.57 78.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 25.0 111.465 177.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.59 -37.93 80.25 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.184 0.516 . . . . 25.0 111.831 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.1 t -78.83 -24.26 44.57 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.054 0.454 . . . . 25.0 111.308 -177.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.67 60.49 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.104 -0.569 . . . . 25.0 112.711 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.5 pt -134.48 148.15 66.36 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -67.13 135.78 38.5 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 115.541 -2.506 . . . . 25.0 111.397 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -24.71 67.71 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.143 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.415 0.524 . . . . 25.0 112.415 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -100.95 12.81 36.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.401 0.62 . . . . 25.0 109.868 -179.43 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.4 t -139.72 167.73 21.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.076 -0.511 . . . . 25.0 109.803 -173.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -121.28 136.4 54.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 175.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.3 tt -115.67 132.38 65.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -176.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.3 153.04 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.015 -176.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -139.92 135.1 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 177.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.11 40.54 28.82 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.528 0.518 . . . . 25.0 110.059 -172.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 58.18 14.57 2.84 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.062 1.504 . . . . 25.0 115.062 -178.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -113.32 143.18 28.8 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 179.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.97 145.88 63.25 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 116.172 -2.085 . . . . 25.0 113.006 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.524 ' HB3' HD11 ' A' ' 127' ' ' LEU . 17.3 mt -95.08 111.46 23.27 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 178.193 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 73.3 p -122.68 -31.74 3.67 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.136 1.532 . . . . 25.0 115.136 -172.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -85.27 77.99 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -176.841 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -61.42 -22.7 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.471 1.656 . . . . 25.0 115.471 -171.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.44 -4.04 49.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.638 0.606 . . . . 25.0 112.638 -179.064 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.52 151.49 22.49 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 178.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 70.4 p -83.19 166.46 18.59 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 175.563 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.33 -31.21 71.33 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.313 0.578 . . . . 25.0 111.094 -178.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.89 -30.15 70.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.625 174.389 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.1 m -71.25 -16.65 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.624 0.231 . . . . 25.0 111.624 178.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -98.9 -2.7 36.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 176.134 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 72.51 27.78 68.87 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.954 -0.858 . . . . 25.0 110.954 -177.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.38 80.32 2.45 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 121.782 0.801 . . . . 25.0 110.662 -178.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -72.33 162.47 29.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.652 -1.158 . . . . 25.0 112.389 -179.459 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.49 132.9 40.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.753 0.787 . . . . 25.0 110.323 178.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 89.11 -1.59 83.0 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.523 -0.762 . . . . 25.0 113.286 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.51 168.56 19.8 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.564 1.182 . . . . 25.0 110.559 176.028 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.86 137.09 55.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 122.5 1.143 . . . . 25.0 112.848 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.54 142.15 27.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.436 -1.691 . . . . 25.0 106.436 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 91.7 mt -116.49 129.64 72.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.192 -0.669 . . . . 25.0 109.192 -176.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 55.6 tp -114.82 135.89 53.69 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 -179.475 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -132.49 106.59 7.94 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 124.767 2.222 . . . . 25.0 110.345 173.813 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 124.104 1.907 . . . . 25.0 112.85 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.92 91.21 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 113.554 -1.657 . . . . 25.0 112.925 -179.253 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -81.81 85.87 6.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 176.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -70.69 -48.18 56.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.064 -0.516 . . . . 25.0 111.416 -177.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -147.01 167.5 23.86 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 -178.9 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -113.46 158.5 20.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 175.749 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -132.51 171.95 13.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.586 0.176 . . . . 25.0 110.64 -177.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.445 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 26.8 t60 63.7 -170.81 0.18 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.97 0.908 . . . . 25.0 110.783 -177.915 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.445 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 4.8 t60 59.15 39.36 23.05 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.001 0.905 . . . . 25.0 111.304 -176.731 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -89.04 163.53 15.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.771 178.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -80.05 146.98 31.67 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 175.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -138.37 156.41 47.63 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.546 -0.909 . . . . 25.0 108.546 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.8 p -93.32 162.44 14.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 178.428 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.6 p -151.47 163.46 38.96 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 176.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.28 156.71 14.99 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 108.237 -1.945 . . . . 25.0 108.237 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -136.27 171.59 14.26 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.614 -1.625 . . . . 25.0 106.614 -179.224 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.8 tt -148.9 141.0 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 106.384 -1.71 . . . . 25.0 106.384 175.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 -129.72 170.26 14.06 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 -176.211 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.58 -178.71 33.82 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 105.816 -2.913 . . . . 25.0 105.816 177.372 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -72.63 132.28 43.52 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.749 -1.574 . . . . 25.0 106.749 178.074 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -156.01 165.0 37.74 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.836 -1.912 . . . . 25.0 105.836 -174.385 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -144.57 144.87 31.52 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.449 0.642 . . . . 25.0 111.766 178.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 tp -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 -177.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -123.63 154.89 38.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -178.864 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -103.73 139.95 38.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.06 123.09 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.234 -1.024 . . . . 25.0 108.234 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -106.61 116.45 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 177.162 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.5 124.28 41.67 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.1 128.11 70.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.627 -0.715 . . . . 25.0 109.491 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.521 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 54.5 mtp180 -124.06 143.57 50.36 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 177.52 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -65.82 -9.26 27.21 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.066 177.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -96.5 16.0 19.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.346 0.659 . . . . 25.0 111.502 -174.281 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.9 mt 56.77 35.66 26.56 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.724 1.249 . . . . 25.0 110.897 -177.263 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.8 m -106.0 26.04 10.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 113.614 -1.63 . . . . 25.0 111.831 -176.459 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 5.6 mp0 -72.11 147.96 46.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.532 0.682 . . . . 25.0 111.962 -169.118 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.9 p -151.88 150.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -177.279 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.6 t -129.11 144.71 51.29 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 177.887 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -153.99 171.2 19.41 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 -176.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.8 p -119.21 146.92 44.79 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 179.455 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -121.74 142.84 49.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 25.0 110.185 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -102.23 115.66 31.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.983 -1.008 . . . . 25.0 108.609 -178.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.75 168.14 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 25.0 111.449 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -90.56 163.15 14.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 172.35 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.48 94.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.631 0.253 . . . . 25.0 111.501 178.188 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.8 14.43 19.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.414 0.626 . . . . 25.0 112.321 -175.115 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.56 128.88 38.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 177.479 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.76 148.67 46.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.927 0.394 . . . . 25.0 111.942 -176.171 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.44 -30.04 71.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 173.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -59.27 -42.58 91.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.999 -0.546 . . . . 25.0 110.91 176.143 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -77.87 -33.85 51.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 -179.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.21 -40.26 96.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -66.19 -31.0 71.57 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.757 -0.777 . . . . 25.0 110.811 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.82 64.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.598 . . . . 25.0 109.676 176.498 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.75 -43.36 93.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.004 -179.559 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 27.9 p -74.86 -25.49 59.01 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.265 -0.574 . . . . 25.0 111.173 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.1 -44.17 85.13 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 175.747 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.25 -46.8 85.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.855 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.09 -36.37 72.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 25.0 112.413 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.6 t -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.998 0.428 . . . . 25.0 111.824 -177.578 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.56 13.18 82.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 121.093 -0.575 . . . . 25.0 113.154 179.242 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.8 pp -128.71 140.49 38.66 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 122.465 -0.432 . . . . 25.0 110.273 -179.662 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.29 135.64 47.57 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 117.404 -1.264 . . . . 25.0 115.267 -176.606 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -27.16 68.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.673 -0.694 . . . . 25.0 109.574 173.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.98 -29.35 66.42 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.002 -0.545 . . . . 25.0 112.334 -179.439 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -95.88 15.08 21.34 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.725 0.774 . . . . 25.0 110.159 -177.166 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 70.5 p -146.71 -179.29 6.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.546 -174.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -129.32 148.01 51.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.448 -1.316 . . . . 25.0 107.448 178.46 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.4 tt -124.62 127.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 -176.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.18 133.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.131 -169.094 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -129.88 136.2 49.24 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 175.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 44.44 25.89 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.455 0.472 . . . . 25.0 111.015 -178.589 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 63.0 8.46 3.21 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.737 1.755 . . . . 25.0 115.737 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.22 139.01 26.94 Favored Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 121.582 -0.698 . . . . 25.0 110.173 178.613 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.37 149.27 56.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 116.284 -2.011 . . . . 25.0 111.757 178.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.92 98.01 10.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.9 p -104.26 -19.99 13.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.904 1.076 . . . . 25.0 113.904 -175.497 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.87 81.91 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.289 0.566 . . . . 25.0 109.721 -176.038 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -53.24 -38.29 62.85 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.553 1.316 . . . . 25.0 114.553 -175.15 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -82.11 -0.59 45.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 -176.455 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -77.41 145.32 37.26 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 105.832 -1.914 . . . . 25.0 105.832 172.584 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 58.2 p -79.73 163.72 24.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.379 -1.341 . . . . 25.0 107.379 171.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.17 -33.54 76.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.979 0.419 . . . . 25.0 110.106 -179.327 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.2 71.23 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.005 -0.434 . . . . 25.0 110.786 176.168 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.1 m -70.89 -16.47 62.69 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.709 0.29 . . . . 25.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -97.39 -5.92 35.21 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 175.672 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 84.99 20.87 56.95 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-O 119.496 -0.614 . . . . 25.0 113.813 -178.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.96 84.89 0.97 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 121.724 0.773 . . . . 25.0 110.258 178.482 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -71.73 158.18 36.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.905 -1.043 . . . . 25.0 108.222 173.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -57.84 132.62 53.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 175.418 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 97.31 -13.33 64.63 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.462 -0.79 . . . . 25.0 113.912 -178.186 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.03 157.24 35.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.166 0.983 . . . . 25.0 110.311 177.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.11 136.54 60.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.979 0.895 . . . . 25.0 111.925 -177.078 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.72 139.75 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.22 -1.4 . . . . 25.0 107.22 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.08 121.57 61.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -179.71 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 tt -104.42 131.73 51.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 105.292 -2.114 . . . . 25.0 105.292 179.232 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -129.72 121.52 27.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.701 0.682 . . . . 25.0 112.636 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 124.704 2.193 . . . . 25.0 111.264 176.861 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 122.638 1.209 . . . . 25.0 113.345 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 171.88 -159.76 31.21 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.809 -1.316 . . . . 25.0 109.809 -176.826 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 58.12 -148.07 0.49 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.397 0.679 . . . . 25.0 110.59 179.447 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 65.52 -16.67 0.1 Allowed 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 115.381 1.623 . . . . 25.0 115.381 -177.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -70.4 138.87 51.66 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.057 -0.402 . . . . 25.0 110.057 177.012 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -137.37 157.61 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 176.575 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -154.21 163.7 39.71 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 -177.046 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -152.24 175.99 12.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.454 -1.684 . . . . 25.0 106.454 177.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -117.89 144.86 45.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 176.651 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -149.67 168.91 22.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -152.95 177.24 10.98 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.41 -1.7 . . . . 25.0 106.41 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -125.49 152.22 45.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.568 -2.012 . . . . 25.0 105.568 175.772 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.7 t -143.15 152.13 41.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.834 -1.543 . . . . 25.0 106.834 179.018 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.5 p -157.5 169.4 24.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 -177.23 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -164.56 -170.89 30.12 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 107.845 -2.102 . . . . 25.0 107.845 178.414 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -127.09 165.39 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 -179.432 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 79.1 mt -107.08 111.63 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 105.549 -2.019 . . . . 25.0 105.549 176.05 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.99 164.47 12.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 -176.454 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.7 -170.88 23.83 Favored Glycine 0 C--O 1.219 -0.807 0 N-CA-C 110.713 -0.955 . . . . 25.0 110.713 -179.476 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 63.63 10.85 5.3 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.084 0.953 . . . . 25.0 112.984 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -101.78 163.34 12.31 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 177.251 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -139.14 161.79 36.54 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -110.86 133.0 53.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 -178.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.2 mt -126.18 150.23 48.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 177.575 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.4 m -96.58 140.43 31.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.8 t -125.15 124.65 67.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 178.317 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -112.75 111.83 22.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 81.5 m -97.49 130.29 44.59 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -178.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.7 t -118.94 133.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 -117.41 148.99 41.27 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.344 -1.725 . . . . 25.0 106.344 171.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.92 -31.42 70.94 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.671 0.272 . . . . 25.0 111.338 -179.479 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.08 27.6 0.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -177.319 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.8 mt 56.87 26.32 11.49 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.545 1.138 . . . . 25.0 113.708 177.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.47 25.83 1.36 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.798 0.839 . . . . 25.0 111.509 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -72.46 150.4 43.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.172 -170.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.91 157.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 -174.156 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.2 t -138.26 147.55 43.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 177.163 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -159.34 -178.47 7.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 -177.148 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -130.19 151.73 50.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.872 -0.418 . . . . 25.0 109.872 178.325 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.08 147.62 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.353 0.408 . . . . 25.0 110.094 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -102.62 127.6 49.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 176.082 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.24 166.9 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.285 -174.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.04 163.05 22.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 172.384 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.91 98.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.71 0.29 . . . . 25.0 110.816 177.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -96.89 19.58 12.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.683 0.754 . . . . 25.0 112.414 -174.201 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.41 127.6 32.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 177.038 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.76 152.19 45.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.656 0.265 . . . . 25.0 111.198 -176.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.428 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.6 mm? -68.28 -27.04 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.188 -0.32 . . . . 25.0 111.16 175.018 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.407 ' HB2' HD22 ' A' ' 157' ' ' ASN . 83.6 t60 -65.6 -45.42 83.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 175.572 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.01 -41.07 78.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.655 0.74 . . . . 25.0 109.36 178.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.58 -42.81 97.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.526 0.936 . . . . 25.0 113.526 -178.193 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.428 HH21 ' HB3' ' A' ' 127' ' ' LEU . 20.7 ptp180 -69.95 -27.89 65.11 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 119.734 -0.787 . . . . 25.0 111.166 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.13 66.19 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 175.406 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.8 -40.15 95.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.62 0.724 . . . . 25.0 109.351 177.497 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.37 -42.35 96.22 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.255 176.339 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.13 -41.02 95.96 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 122.447 0.299 . . . . 25.0 110.573 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.89 -47.82 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.661 -0.245 . . . . 25.0 110.944 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -69.39 -41.51 76.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.412 0.625 . . . . 25.0 112.059 -177.029 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.8 t -83.28 -20.34 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.49 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.02 179.508 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.2 pp -126.87 140.69 38.36 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 122.592 -0.358 . . . . 25.0 110.469 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.14 125.91 16.79 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 117.319 -1.321 . . . . 25.0 113.744 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.55 -27.59 69.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 25.0 110.09 176.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.9 -25.53 68.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.884 -0.598 . . . . 25.0 112.371 -178.713 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -99.31 19.37 15.58 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.182 0.515 . . . . 25.0 110.007 -178.075 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.2 t -136.73 161.08 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 116.027 1.862 . . . . 25.0 116.027 -171.29 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.98 154.33 44.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.091 -1.448 . . . . 25.0 107.091 172.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.8 tt -128.11 133.92 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 109.781 -0.452 . . . . 25.0 109.781 -174.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.34 138.92 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 123.819 0.848 . . . . 25.0 111.2 -169.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -135.54 136.77 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.419 -1.326 . . . . 25.0 107.419 175.745 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.28 43.87 23.18 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.48 0.487 . . . . 25.0 111.536 -178.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 61.09 13.54 4.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.764 1.765 . . . . 25.0 115.764 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.0 134.65 24.41 Favored Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 121.632 -0.668 . . . . 25.0 109.725 175.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.26 145.74 55.1 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 116.316 -1.989 . . . . 25.0 111.608 179.563 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.1 mt -90.29 73.83 7.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 28.7 p -68.84 -35.34 76.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.178 -0.919 . . . . 25.0 112.611 -174.466 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.28 92.21 8.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 -175.567 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.407 HD22 ' HB2' ' A' ' 128' ' ' HIS . 14.5 p-10 -67.82 -24.2 65.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.519 -0.764 . . . . 25.0 112.898 -175.231 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -81.17 -5.19 57.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.261 0.467 . . . . 25.0 112.261 -177.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -88.62 148.59 23.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.2 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 89.3 p -86.65 167.73 14.25 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -178.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.96 -41.22 99.45 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 116.198 -0.455 . . . . 25.0 111.504 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.37 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.085 -0.384 . . . . 25.0 110.934 176.484 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 66.8 m -68.53 -17.97 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.224 -0.298 . . . . 25.0 111.693 178.092 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.94 -4.9 25.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 25.0 110.204 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 82.6 25.13 51.59 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-O 119.679 -0.511 . . . . 25.0 114.183 -179.232 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.9 84.61 0.95 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.129 0.965 . . . . 25.0 111.174 178.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -67.37 156.21 37.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.322 -0.853 . . . . 25.0 111.641 176.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.26 130.29 34.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 25.0 109.761 173.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.65 -0.65 74.17 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.89 -0.596 . . . . 25.0 113.848 179.501 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.01 174.72 10.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.328 1.064 . . . . 25.0 110.55 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.13 139.56 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.975 0.893 . . . . 25.0 113.238 -173.764 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.2 t -114.19 138.03 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 107.583 -1.265 . . . . 25.0 107.583 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.1 mp -109.49 123.52 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 -178.553 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.8 tt -109.89 137.71 47.29 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -126.98 111.48 14.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.253 0.549 . . . . 25.0 110.44 -179.638 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 123.68 1.705 . . . . 25.0 111.366 -177.055 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 124.621 2.153 . . . . 25.0 112.864 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -146.41 146.21 15.98 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 113.409 -1.723 . . . . 25.0 109.482 176.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -81.71 -27.84 33.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -175.57 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.3 m80 50.88 38.28 19.54 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 179.429 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -100.77 141.74 33.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.204 -0.453 . . . . 25.0 109.886 -177.366 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -114.52 159.73 20.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 -177.826 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -138.92 166.56 24.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 -177.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -139.65 153.7 47.36 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -123.21 156.86 34.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -177.631 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -139.03 166.15 25.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 -175.272 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -99.07 156.52 16.89 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 -179.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -73.51 153.48 40.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.002 -0.37 . . . . 25.0 110.002 178.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 t -76.81 158.64 30.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 176.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.2 t -148.41 159.63 43.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.292 -1.373 . . . . 25.0 107.292 178.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -167.48 167.12 39.75 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 108.57 -1.812 . . . . 25.0 108.57 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -140.98 168.56 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 -178.284 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.7 pt -129.13 161.93 37.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 106.47 -1.678 . . . . 25.0 106.47 175.704 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -75.17 -31.08 60.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.13 0.491 . . . . 25.0 111.817 -177.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.34 -151.33 41.67 Favored Glycine 0 CA--C 1.518 0.222 0 N-CA-C 109.934 -1.266 . . . . 25.0 109.934 -177.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -154.41 146.85 23.99 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 176.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -143.23 171.0 14.7 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 104.202 -2.518 . . . . 25.0 104.202 171.024 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -139.66 168.56 19.55 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.164 -1.05 . . . . 25.0 108.164 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 tp -126.11 130.77 51.71 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.299 -0.26 . . . . 25.0 110.299 -177.224 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.95 140.94 51.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 177.169 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.4 m -93.35 138.01 32.11 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 177.485 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.3 t -125.17 125.11 68.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 179.443 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -110.52 117.18 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 177.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.7 t -100.99 126.42 47.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 25.0 110.222 179.337 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.5 t -112.05 128.24 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.989 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -117.96 144.82 45.18 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.976 -1.861 . . . . 25.0 105.976 168.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -66.97 -12.22 59.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.194 0.521 . . . . 25.0 110.911 176.005 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.48 16.52 8.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.849 -1.069 . . . . 25.0 111.581 -176.028 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.8 mt 56.19 30.48 16.61 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.266 1.027 . . . . 25.0 113.064 179.311 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 26.19 5.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.491 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -72.55 145.57 47.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.281 -0.872 . . . . 25.0 109.385 -166.294 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -149.97 144.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.792 -1.094 . . . . 25.0 109.541 -172.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.1 t -124.77 143.17 50.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 177.799 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.87 174.0 14.64 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.485 -2.043 . . . . 25.0 105.485 -177.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -135.35 142.45 45.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.7 mt -114.79 143.36 45.21 Favored 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 123.604 0.565 . . . . 25.0 110.905 -176.675 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -102.27 120.38 40.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 177.111 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.88 167.33 14.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.126 -0.488 . . . . 25.0 109.901 -171.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.34 162.03 22.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 174.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 176.014 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.79 17.28 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.605 0.716 . . . . 25.0 112.009 -176.749 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -65.81 131.73 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 177.51 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.37 149.01 50.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.033 0.133 . . . . 25.0 110.662 -176.03 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.542 ' HB3' HH21 ' A' ' 131' ' ' ARG . 1.3 mm? -68.5 -27.05 65.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.766 -0.584 . . . . 25.0 110.573 174.752 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -66.47 -42.51 87.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.427 0.632 . . . . 25.0 109.498 176.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -41.1 68.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.714 0.769 . . . . 25.0 109.484 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.64 -46.49 88.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.542 HH21 ' HB3' ' A' ' 127' ' ' LEU . 19.7 ptp180 -68.4 -27.9 66.63 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 119.964 -0.694 . . . . 25.0 111.22 -179.338 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.08 78.12 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 175.48 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.14 -38.65 91.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.797 -0.446 . . . . 25.0 109.797 176.726 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.56 -37.44 87.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.214 -0.304 . . . . 25.0 110.998 177.592 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.03 -42.44 97.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.5 -44.49 96.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.737 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.45 -36.17 73.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -178.83 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.2 p -87.54 -20.69 26.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -175.091 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.05 30.18 76.45 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.064 -0.589 . . . . 25.0 114.556 176.27 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 pp -124.74 146.27 52.37 Favored Pre-proline 0 N--CA 1.47 0.526 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -66.13 124.79 13.07 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 116.082 -2.145 . . . . 25.0 112.053 178.073 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -26.47 68.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 25.0 110.542 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.16 -22.87 67.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -99.62 10.14 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 25.0 110.738 -178.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 p -130.77 171.47 13.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -170.387 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.1 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 174.314 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.08 136.17 60.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 -176.507 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.4 m -133.78 152.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.178 0.513 . . . . 25.0 111.377 -176.875 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -139.21 137.36 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.056 -2.572 . . . . 25.0 104.056 174.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 52.52 35.22 17.25 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.274 0.559 . . . . 25.0 110.345 -173.643 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 58.91 20.0 7.66 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 -177.054 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -120.2 142.17 33.12 Favored Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 176.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -72.29 144.9 42.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 116.704 -1.731 . . . . 25.0 114.33 -175.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.85 67.32 8.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 177.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 40.2 p -70.83 -28.49 64.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.812 -176.574 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -85.37 112.98 21.33 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 -178.452 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -94.77 -16.83 22.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.85 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.82 -32.35 35.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.071 0.463 . . . . 25.0 109.818 -176.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -56.26 149.83 15.58 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.756 175.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.8 p -89.18 170.2 10.81 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 170.178 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.21 -33.74 76.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.229 0.537 . . . . 25.0 110.132 -179.435 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.88 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.477 176.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 14.2 m -68.65 -16.51 63.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 179.002 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -102.03 -6.28 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 25.0 110.439 175.656 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 74.36 24.91 71.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -174.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.84 80.41 1.61 Allowed 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.638 0.733 . . . . 25.0 109.724 -178.754 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -76.15 165.81 24.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.035 -0.984 . . . . 25.0 112.033 -177.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.47 128.48 34.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.346 -0.843 . . . . 25.0 108.931 172.07 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 101.19 -11.6 58.58 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.449 -0.796 . . . . 25.0 113.579 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.18 159.54 31.47 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 118.067 0.933 . . . . 25.0 109.901 176.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 3.0 p -126.28 137.52 57.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.97 0.891 . . . . 25.0 110.71 -177.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.43 144.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -177.278 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 78.9 mt -119.52 129.23 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -177.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.6 tt -117.98 135.42 54.16 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.493 -1.669 . . . . 25.0 106.493 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -131.13 128.55 40.35 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.574 0.625 . . . . 25.0 112.144 -179.06 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 125.854 2.74 . . . . 25.0 111.706 177.534 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 122.767 1.27 . . . . 25.0 113.598 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.89 -168.99 38.08 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 110.202 -1.159 . . . . 25.0 110.202 -176.825 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -139.37 157.02 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 -178.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 m80 56.51 -157.82 0.26 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.242 0.964 . . . . 25.0 112.13 178.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -128.33 133.43 48.7 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 179.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -88.35 77.92 8.06 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 -178.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -60.18 -39.5 86.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.413 -178.708 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 41.1 t60 58.75 -175.69 0.09 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.746 0.818 . . . . 25.0 112.411 178.066 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.468 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 83.3 m-70 -132.93 60.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -178.821 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -63.42 132.76 52.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.42 -177.401 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -160.07 174.93 13.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.834 -1.543 . . . . 25.0 106.834 -179.127 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -129.2 -41.4 1.41 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.319 0.387 . . . . 25.0 110.686 174.717 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m 53.59 -153.0 0.28 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.611 0.569 . . . . 25.0 111.488 179.509 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.7 m -148.93 154.04 38.85 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.431 -1.692 . . . . 25.0 106.431 178.277 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.42 -17.49 0.76 Allowed Glycine 0 C--O 1.222 -0.611 0 N-CA-C 114.955 0.742 . . . . 25.0 114.955 -178.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -78.18 126.53 30.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 178.681 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.1 pt -132.98 175.12 12.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 107.749 -1.204 . . . . 25.0 107.749 -179.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 63.57 -179.74 0.16 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.472 1.108 . . . . 25.0 113.805 177.77 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.05 170.17 39.17 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 108.354 -1.898 . . . . 25.0 108.354 -178.584 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.32 110.3 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.613 0.706 . . . . 25.0 109.519 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.97 170.08 22.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.472 -2.047 . . . . 25.0 105.472 -179.112 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.51 165.78 25.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 179.399 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -117.5 137.76 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.237 -0.282 . . . . 25.0 110.237 -174.634 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.19 153.1 40.53 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 174.114 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.9 m -108.45 142.6 38.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.273 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.58 131.93 72.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.553 -1.277 . . . . 25.0 107.553 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -116.23 116.49 27.88 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 175.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.8 t -97.52 125.05 41.99 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -179.434 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.09 130.99 63.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.743 0.783 . . . . 25.0 111.788 -176.816 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -124.12 141.11 52.33 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 105.154 -2.165 . . . . 25.0 105.154 172.608 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -68.03 -13.79 62.47 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.124 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -95.63 22.95 6.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.567 . . . . 25.0 110.277 -177.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt 54.97 29.59 12.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.556 1.143 . . . . 25.0 113.248 -179.561 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.59 25.84 1.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.989 -1.005 . . . . 25.0 110.267 176.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.55 149.98 43.56 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.71 -1.132 . . . . 25.0 111.683 -167.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.58 154.81 8.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 -177.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.22 148.36 46.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 174.791 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -156.23 172.32 18.67 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 -176.63 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.0 m -129.69 149.79 51.29 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.56 146.52 52.09 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.908 -178.264 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -102.91 125.36 49.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 178.044 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.0 m -138.93 171.35 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.236 -1.024 . . . . 25.0 108.236 -172.813 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.21 164.45 13.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.916 -1.142 . . . . 25.0 107.916 175.46 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.44 74.12 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 176.249 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -91.62 19.38 6.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 25.0 112.053 -178.219 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -73.56 136.66 44.04 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 179.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -64.27 141.93 58.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.076 -0.342 . . . . 25.0 110.076 179.23 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.13 -33.14 75.09 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 174.379 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -60.9 -43.23 98.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.04 0.447 . . . . 25.0 111.141 176.718 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -72.19 -34.03 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 -179.745 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -64.18 -42.84 96.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.997 0.369 . . . . 25.0 111.997 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -66.73 -31.44 72.1 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 119.69 -0.804 . . . . 25.0 110.704 179.169 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.4 65.28 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.276 0.56 . . . . 25.0 110.261 178.098 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.37 -38.45 91.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.43 0.633 . . . . 25.0 109.46 178.349 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.49 -43.03 98.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.647 176.078 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.44 -41.72 98.94 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.486 0.315 . . . . 25.0 110.332 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.96 -45.29 89.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.601 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -69.05 -39.66 79.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.363 0.601 . . . . 25.0 111.786 -177.507 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 78.2 p -83.99 -19.46 34.5 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -176.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.94 79.21 Favored Glycine 0 CA--C 1.517 0.157 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.743 176.217 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.5 pt -127.49 142.72 44.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.31 143.02 75.36 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 116.578 -1.815 . . . . 25.0 115.233 -174.411 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.21 70.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.497 -0.774 . . . . 25.0 109.267 174.784 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.09 70.16 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.083 -179.571 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -93.33 7.29 45.03 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.015 0.436 . . . . 25.0 110.264 -178.345 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 m -131.44 158.36 41.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.829 1.418 . . . . 25.0 114.829 -171.647 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.08 150.5 49.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.224 -1.769 . . . . 25.0 106.224 172.596 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.82 137.84 56.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 -176.466 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.1 p -140.18 142.62 31.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.867 -1.161 . . . . 25.0 107.867 -172.583 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -135.64 132.25 36.8 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 -177.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.0 44.97 25.63 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.569 0.543 . . . . 25.0 110.441 -178.37 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 62.11 8.69 2.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.783 1.772 . . . . 25.0 115.783 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -115.54 131.76 23.47 Favored Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 121.622 -0.673 . . . . 25.0 109.782 177.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.66 146.48 67.14 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 116.029 -2.18 . . . . 25.0 112.086 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.9 mt -89.56 89.59 7.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 70.9 p -94.4 -12.55 27.63 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -173.29 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -105.39 104.94 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.438 0.637 . . . . 25.0 110.026 -176.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -70.5 -26.71 63.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.48 -0.782 . . . . 25.0 113.1 -178.571 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.57 -9.17 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.588 0.709 . . . . 25.0 112.483 -172.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -75.98 136.61 40.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 77.7 p -73.92 161.8 29.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.655 -1.609 . . . . 25.0 106.655 172.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.73 -33.62 75.52 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.375 0.607 . . . . 25.0 110.244 -179.566 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.52 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.951 176.576 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 44.4 m -70.86 -16.49 62.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.707 0.262 . . . . 25.0 111.707 179.173 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -96.84 -9.07 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.533 0.206 . . . . 25.0 110.526 175.441 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 80.98 20.69 64.67 Favored Glycine 0 N--CA 1.454 -0.162 0 N-CA-C 111.113 -0.795 . . . . 25.0 111.113 -176.025 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.5 81.54 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.888 0.852 . . . . 25.0 110.118 -178.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -72.39 169.58 16.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.515 -1.221 . . . . 25.0 113.083 -178.808 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.59 128.65 38.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.97 -1.014 . . . . 25.0 109.635 173.005 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.39 0.47 82.36 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.281 -0.872 . . . . 25.0 113.763 178.327 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.37 162.83 26.17 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.643 1.222 . . . . 25.0 110.837 178.083 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.27 136.44 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -172.699 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.97 161.18 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 175.207 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 98.2 mt -122.12 132.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -178.204 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 12.5 tp -115.61 139.96 49.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 179.119 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -130.41 121.64 26.29 Favored 'General case' 0 CA--C 1.508 -0.642 0 O-C-N 121.915 -0.491 . . . . 25.0 109.755 175.195 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 123.474 1.607 . . . . 25.0 111.514 -178.669 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 122.576 1.179 . . . . 25.0 113.884 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.28 24.27 73.46 Favored Glycine 0 C--N 1.345 1.061 0 O-C-N 121.476 -0.765 . . . . 25.0 113.333 -179.672 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -72.41 149.54 44.18 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.486 -0.42 . . . . 25.0 110.804 -179.366 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' CG ' ' H ' ' A' ' 84' ' ' HIS . 7.9 t60 56.68 -129.06 1.84 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.484 0.714 . . . . 25.0 110.292 178.666 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.409 ' H ' ' CG ' ' A' ' 83' ' ' HIS . 5.2 t60 51.99 45.66 27.91 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 179.042 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -136.05 153.4 51.35 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.109 -0.369 . . . . 25.0 110.788 -179.455 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -139.4 142.49 37.5 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -131.53 29.28 4.55 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.417 0.627 . . . . 25.0 110.685 -176.07 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -70.69 135.31 48.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.629 . . . . 25.0 109.823 -177.687 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -152.99 150.16 28.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 -177.578 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -139.16 145.52 39.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.664 -1.606 . . . . 25.0 106.664 176.486 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -140.89 149.83 42.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -177.56 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 m -143.71 151.12 39.65 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 105.625 -1.991 . . . . 25.0 105.625 176.29 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -158.85 167.08 30.37 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 -177.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.34 155.28 24.52 Favored Glycine 0 CA--C 1.517 0.215 0 N-CA-C 111.622 -0.591 . . . . 25.0 111.622 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -155.93 164.19 38.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 106.622 -1.622 . . . . 25.0 106.622 -179.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 82.4 mt -120.21 110.75 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.593 -2.003 . . . . 25.0 105.593 178.089 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -159.0 178.38 10.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.478 -0.934 . . . . 25.0 108.478 -174.435 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.31 -177.39 27.3 Favored Glycine 0 N--CA 1.454 -0.134 0 N-CA-C 111.305 -0.718 . . . . 25.0 111.305 -179.771 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.4 ttm105 -158.93 150.09 20.3 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 106.807 -1.553 . . . . 25.0 106.807 -179.82 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -156.21 176.16 13.04 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 103.957 -2.609 . . . . 25.0 103.957 177.289 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -121.07 168.54 11.43 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 172.793 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.8 tp -120.34 138.5 53.69 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 -176.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -127.55 150.07 49.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.386 -1.339 . . . . 25.0 107.386 174.108 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -110.39 133.92 52.81 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.2 133.56 67.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 -178.418 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.88 115.96 28.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 173.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -97.51 129.29 44.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 25.0 109.748 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.6 t -112.69 127.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.434 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.588 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 31.6 mmm-85 -122.06 140.73 52.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.665 -1.605 . . . . 25.0 106.665 -178.387 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.51 -17.85 64.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.776 0.322 . . . . 25.0 111.689 178.114 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.95 13.71 4.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -176.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.0 mt 58.4 35.25 24.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.954 1.359 . . . . 25.0 110.128 -176.212 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -106.01 26.03 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.126 -1.852 . . . . 25.0 110.939 -175.752 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.588 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 14.0 mp0 -72.42 148.07 45.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.574 0.702 . . . . 25.0 110.993 -168.356 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.26 155.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 -174.366 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.3 t -135.74 146.69 47.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 175.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -154.55 173.73 15.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 -175.385 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.3 m -129.94 146.93 51.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 178.724 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.0 mt -120.91 145.84 47.25 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.044 0.45 . . . . 25.0 111.45 -176.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -103.61 113.58 27.2 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.15 163.05 27.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.513 -0.18 . . . . 25.0 110.513 -174.229 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -82.17 163.25 22.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 175.558 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.62 93.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.653 -0.249 . . . . 25.0 111.022 176.824 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -94.73 15.45 18.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.481 0.658 . . . . 25.0 112.64 -175.364 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.9 132.42 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 176.469 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.64 151.41 47.4 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.151 -0.343 . . . . 25.0 111.742 -177.294 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.29 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 174.25 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.406 0.622 . . . . 25.0 110.417 175.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -69.56 -39.44 77.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.532 0.682 . . . . 25.0 109.338 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.58 -44.26 96.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.902 0.705 . . . . 25.0 112.902 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -69.27 -27.89 65.83 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.728 -0.789 . . . . 25.0 110.426 -179.266 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.11 -40.67 71.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.099 0.476 . . . . 25.0 109.851 174.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.1 -36.13 82.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.931 0.872 . . . . 25.0 109.744 178.195 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.28 -38.97 92.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.746 175.572 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -36.32 83.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.8 -49.56 76.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 25.0 111.203 179.258 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.86 -32.09 65.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.278 0.561 . . . . 25.0 111.839 -178.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t -81.38 -21.11 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -177.241 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.21 12.47 84.31 Favored Glycine 0 CA--C 1.518 0.231 0 N-CA-C 114.475 0.55 . . . . 25.0 114.475 177.681 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.8 pt -135.52 145.97 55.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 117.307 0.554 . . . . 25.0 109.933 -179.486 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -63.71 135.91 51.08 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 117.005 -1.53 . . . . 25.0 113.775 -178.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.6 -24.66 67.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.115 178.173 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.11 69.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 25.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -92.53 19.11 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.389 0.614 . . . . 25.0 110.287 -177.259 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -145.67 170.5 16.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 -177.169 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -125.13 127.81 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 178.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 18.2 tt -97.03 132.57 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 -179.114 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.45 135.04 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 123.819 0.847 . . . . 25.0 110.362 -170.55 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -135.96 138.91 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 176.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.49 41.27 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.34 0.59 . . . . 25.0 110.284 -176.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 58.92 12.2 2.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.464 1.653 . . . . 25.0 115.464 -178.029 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -116.05 139.66 25.36 Favored Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 121.78 -0.575 . . . . 25.0 110.273 176.617 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 150.46 56.8 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 115.839 -2.307 . . . . 25.0 112.024 177.693 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.13 95.36 7.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.396 -0.965 . . . . 25.0 108.396 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 24.6 p -83.88 -23.31 31.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 25.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -90.78 115.87 28.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.713 -0.676 . . . . 25.0 109.486 -177.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -94.65 -22.91 17.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 -176.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.82 -8.74 59.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 118.134 2.642 . . . . 25.0 118.134 -165.27 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 164' ' ' TYR . 97.1 mtt180 -93.03 163.85 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 176.38 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -79.59 165.34 23.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.183 177.223 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.86 -41.77 96.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.494 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.76 -31.13 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.734 0.302 . . . . 25.0 110.758 177.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 51.1 m -71.32 -16.49 62.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 178.599 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 159' ' ' ARG . 69.2 m-85 -102.0 -2.49 29.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.617 0.246 . . . . 25.0 110.472 175.457 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.29 15.75 66.0 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 114.393 0.517 . . . . 25.0 114.393 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.84 81.71 2.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 117.959 0.879 . . . . 25.0 109.326 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 170.85 15.83 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.491 0.662 . . . . 25.0 112.625 -178.072 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -53.02 118.03 3.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.52 75.34 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-O 119.536 -0.591 . . . . 25.0 114.101 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -72.13 160.37 32.57 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.996 0.898 . . . . 25.0 110.288 179.244 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.13 130.11 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.732 0.777 . . . . 25.0 112.57 -172.475 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.96 151.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 106.828 -1.545 . . . . 25.0 106.828 177.56 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 64.0 mt -126.08 126.14 69.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 -178.305 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 38.6 tp -102.85 131.61 49.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 177.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -128.39 113.6 15.78 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.705 0.632 . . . . 25.0 112.705 -177.699 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 124.677 2.179 . . . . 25.0 111.056 174.157 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 122.971 1.367 . . . . 25.0 113.749 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.08 168.11 41.25 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 109.083 -1.607 . . . . 25.0 109.083 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -77.62 138.16 38.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 117.265 0.533 . . . . 25.0 110.25 -179.162 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -152.07 157.05 41.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.332 -1.729 . . . . 25.0 106.332 176.275 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -130.23 135.92 48.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 -178.464 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -121.66 23.22 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.947 -0.76 . . . . 25.0 108.947 -177.872 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 t60 65.59 174.59 0.22 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.385 -1.28 . . . . 25.0 109.162 -170.587 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -135.61 138.15 42.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.289 -1.004 . . . . 25.0 108.289 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -137.78 156.95 47.41 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.351 -1.722 . . . . 25.0 106.351 178.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -139.53 132.61 29.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.378 -1.341 . . . . 25.0 107.378 -177.254 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -126.65 0.67 6.8 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -172.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -69.53 143.22 53.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 178.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.7 t 61.41 28.93 18.24 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 -177.912 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m -83.66 165.09 19.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 174.444 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.22 123.91 6.51 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.485 -0.864 . . . . 25.0 111.272 177.347 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -92.17 98.69 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.074 0.464 . . . . 25.0 109.902 178.661 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.25 62.92 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 179.765 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -97.55 -15.35 20.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.177 -0.92 . . . . 25.0 110.942 -175.564 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.41 157.92 32.93 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.699 -0.682 . . . . 25.0 113.288 179.024 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -171.63 38.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -131.2 173.64 10.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.765 -1.939 . . . . 25.0 105.765 -175.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -109.26 166.66 10.69 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.252 0.548 . . . . 25.0 110.122 178.892 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.3 tp -125.22 132.48 52.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 -178.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -122.11 153.61 38.47 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 178.525 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.5 m -106.88 141.21 38.47 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.114 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.97 128.38 75.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 179.193 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -113.76 111.0 21.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.7 t -97.45 122.71 40.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.227 0.537 . . . . 25.0 110.514 -176.099 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.1 t -105.4 126.41 60.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.172 -178.092 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -119.16 147.62 43.99 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.055 -1.831 . . . . 25.0 106.055 174.067 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -61.0 -33.15 72.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.693 0.997 . . . . 25.0 113.693 -173.899 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -85.7 27.75 0.83 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -173.644 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt 56.28 27.31 11.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 122.468 1.128 . . . . 25.0 111.629 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.5 m -88.05 25.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.162 -1.381 . . . . 25.0 110.637 179.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.37 152.31 42.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.059 -0.973 . . . . 25.0 110.319 -165.154 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -148.64 155.26 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -173.306 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -136.97 149.05 47.3 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 175.441 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -156.68 173.25 17.23 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 105.888 -1.893 . . . . 25.0 105.888 -177.685 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.7 m -128.18 151.19 49.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.6 mt -126.82 142.01 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.27 0.557 . . . . 25.0 111.65 -177.43 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -95.3 115.2 27.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 178.883 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 m -138.26 161.23 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.323 0.582 . . . . 25.0 111.436 -175.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -81.76 161.35 23.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 175.807 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.7 98.22 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 177.642 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -93.87 17.61 11.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.664 0.745 . . . . 25.0 112.565 -176.041 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -66.14 132.78 49.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 177.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.25 150.54 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.919 0.34 . . . . 25.0 111.919 -177.646 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.84 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 169.304 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -59.58 -41.6 90.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.759 177.552 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -77.85 -37.14 49.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.713 0.768 . . . . 25.0 110.03 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -61.13 -43.2 99.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.085 -0.507 . . . . 25.0 112.334 -179.193 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -68.06 -28.08 67.06 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.627 -0.429 . . . . 25.0 111.33 179.14 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.78 68.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 176.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.58 -36.55 84.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.479 0.657 . . . . 25.0 109.491 176.21 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.31 -36.28 83.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.805 178.189 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.73 -44.15 97.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.657 -0.498 . . . . 25.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.59 -47.31 86.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.281 -0.418 . . . . 25.0 112.023 -178.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -75.45 -32.54 60.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.808 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 93.6 p -83.68 -23.1 31.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.885 -0.51 . . . . 25.0 112.097 -177.523 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.12 11.06 85.9 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.966 -0.635 . . . . 25.0 113.66 177.578 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.2 pt -127.19 145.21 53.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 178.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.89 139.03 66.07 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 116.792 -1.672 . . . . 25.0 114.065 -176.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.49 -24.69 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 174.148 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.5 67.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.077 -0.51 . . . . 25.0 111.869 178.717 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -100.89 9.64 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.762 0.315 . . . . 25.0 110.743 -178.267 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -139.0 160.1 40.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.566 0.698 . . . . 25.0 112.818 -171.379 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -121.41 152.5 38.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 177.726 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.2 tt -115.79 135.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.5 t -133.92 137.88 51.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 124.062 0.945 . . . . 25.0 109.423 -173.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.407 ' HB3' HD21 ' A' ' 154' ' ' LEU . 53.8 t80 -142.02 141.48 32.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.397 -1.705 . . . . 25.0 106.397 175.332 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.82 45.3 24.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.9 0.381 . . . . 25.0 110.771 -178.124 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 60.54 10.09 2.37 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.455 1.65 . . . . 25.0 115.455 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -125.78 141.84 40.43 Favored Pre-proline 0 N--CA 1.469 0.498 0 O-C-N 121.741 -0.599 . . . . 25.0 110.434 -177.61 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.57 147.85 46.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 116.185 -2.077 . . . . 25.0 112.855 -178.346 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 149' ' ' TYR . 73.9 mt -95.47 103.24 15.1 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 178.135 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 61.7 p -112.77 -23.27 10.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.29 1.218 . . . . 25.0 114.29 -173.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.33 98.06 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 179.453 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.81 -25.16 66.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.173 -0.921 . . . . 25.0 112.93 -175.848 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -77.98 -8.63 58.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.132 0.789 . . . . 25.0 113.132 -172.836 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -87.51 145.04 26.41 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 178.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 69.1 p -81.45 166.46 20.34 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 173.362 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.34 -37.42 87.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.518 -0.31 . . . . 25.0 111.401 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.141 -0.35 . . . . 25.0 110.451 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.2 m -69.53 -16.76 63.5 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.656 0.243 . . . . 25.0 111.656 177.621 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -99.0 -6.69 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.578 0.228 . . . . 25.0 110.609 176.008 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 85.52 18.69 59.81 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.235 -0.507 . . . . 25.0 113.64 -178.247 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.07 84.04 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 117.833 0.817 . . . . 25.0 109.85 178.292 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -66.42 162.15 21.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.174 -0.921 . . . . 25.0 110.448 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -58.88 130.43 46.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 25.0 109.156 173.709 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 90.44 -3.84 82.06 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.059 -0.973 . . . . 25.0 113.734 179.016 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -76.19 163.98 26.53 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.539 1.169 . . . . 25.0 111.58 178.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 23.5 t -116.76 129.14 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 25.0 112.361 -173.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.74 145.46 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.197 -1.779 . . . . 25.0 106.197 174.038 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.9 mp -113.15 124.89 70.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.974 -1.121 . . . . 25.0 107.974 -178.32 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 11.7 tp -105.98 140.01 39.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.1 -1.815 . . . . 25.0 106.1 177.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -135.01 112.15 10.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -176.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.205 -1.242 0 CA-C-O 125.209 2.433 . . . . 25.0 110.688 175.612 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 74.8 mtm . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 124.322 2.01 . . . . 25.0 113.974 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.35 170.32 43.21 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 109.154 -1.578 . . . . 25.0 109.154 -178.886 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 t60 56.41 20.65 4.89 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.927 1.084 . . . . 25.0 113.927 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -70.83 -46.49 62.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 25.0 110.009 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 50.97 -155.65 0.13 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.584 -178.125 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -151.15 112.15 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 179.751 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -99.3 111.85 24.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -178.493 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -150.67 161.24 42.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.081 -0.34 . . . . 25.0 110.081 -177.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.51 -47.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.769 -0.65 . . . . 25.0 110.37 177.525 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 73.0 157.77 0.19 Allowed 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.897 1.373 . . . . 25.0 108.729 -173.468 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -117.02 168.23 10.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 -178.226 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -139.17 151.73 46.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 105.871 -1.9 . . . . 25.0 105.871 177.505 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m -139.75 142.2 36.8 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 179.599 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -107.29 5.26 27.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.087 0.47 . . . . 25.0 110.543 -178.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.02 178.29 52.32 Favored Glycine 0 CA--C 1.517 0.215 0 N-CA-C 109.277 -1.529 . . . . 25.0 109.277 -174.79 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -142.64 60.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.285 0.542 . . . . 25.0 109.811 179.418 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.7 mp 52.02 44.93 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-O 122.63 1.205 . . . . 25.0 109.0 -178.767 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -84.27 120.46 26.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.025 -0.989 . . . . 25.0 110.371 -175.46 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.8 168.19 35.78 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 109.402 -1.479 . . . . 25.0 109.402 179.343 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -80.84 119.26 23.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 179.286 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -153.78 157.77 39.91 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.037 -1.838 . . . . 25.0 106.037 176.133 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -146.48 152.82 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 -178.196 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.4 tp -107.33 123.51 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -178.723 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.84 156.38 28.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 -178.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.4 m -112.55 138.36 49.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.962 0.41 . . . . 25.0 110.058 -179.448 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.03 124.12 66.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -103.45 119.0 38.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 174.611 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.6 t -97.55 125.14 42.09 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.2 t -116.73 127.77 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.455 ' H ' ' HG3' ' A' ' 114' ' ' GLU . 6.4 mtm180 -119.31 146.79 44.97 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 178.674 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.13 -28.94 70.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.503 . . . . 25.0 110.07 176.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.55 24.5 1.19 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -175.797 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.8 mt 55.54 38.2 29.9 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.181 0.991 . . . . 25.0 112.744 177.271 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 m -105.85 25.59 10.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.625 -1.17 . . . . 25.0 113.19 -177.576 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.455 ' HG3' ' H ' ' A' ' 109' ' ' ARG . 13.2 mp0 -72.38 146.94 46.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.66 0.743 . . . . 25.0 112.172 -164.843 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.88 154.3 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 -175.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 t -130.25 145.09 51.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 176.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -154.24 173.74 15.72 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -176.79 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.3 m -127.12 152.63 47.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.11 146.84 52.51 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.926 0.49 . . . . 25.0 109.972 -177.656 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -105.07 126.13 51.74 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.43 165.66 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 -174.502 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.67 158.97 24.08 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 105.515 -2.031 . . . . 25.0 105.515 172.421 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.96 -35.08 77.42 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 174.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -90.75 13.03 17.34 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -177.058 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -67.8 133.98 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 179.421 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.87 150.13 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.454 -0.154 . . . . 25.0 110.905 -179.341 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -34.81 77.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 171.736 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -59.36 -43.55 92.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 25.0 110.663 179.473 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -77.93 -32.13 51.42 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.388 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -63.68 -44.52 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -69.86 -29.19 66.37 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.164 -0.614 . . . . 25.0 110.58 -179.692 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.76 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.439 0.638 . . . . 25.0 109.543 174.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.08 -38.48 90.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.108 179.685 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 14.9 p -77.47 -25.31 50.36 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.652 -0.655 . . . . 25.0 111.516 177.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.6 -37.0 86.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 175.834 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.48 -46.21 90.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 25.0 111.725 178.585 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -77.19 -31.34 55.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.188 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 80.1 p -84.27 -19.94 33.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.092 -0.38 . . . . 25.0 111.765 -178.176 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.24 12.09 84.68 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 121.304 -0.474 . . . . 25.0 113.898 176.605 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.6 pt -132.52 145.56 57.75 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 117.229 0.515 . . . . 25.0 110.648 -179.24 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.0 134.06 41.32 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 116.797 -1.669 . . . . 25.0 114.478 -177.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.62 -24.7 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 25.0 109.618 175.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.22 -26.07 65.52 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.95 -0.568 . . . . 25.0 112.091 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -96.3 9.15 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.142 0.496 . . . . 25.0 110.974 -177.248 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.3 p -137.78 172.49 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.386 0.612 . . . . 25.0 111.145 -175.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -125.52 138.12 53.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -179.628 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.0 tt -107.37 132.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.839 0.828 . . . . 25.0 109.198 -178.112 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.2 t -122.06 137.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.911 -1.04 . . . . 25.0 109.331 -174.174 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -138.62 135.61 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.245 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.4 41.56 28.37 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.309 0.576 . . . . 25.0 110.38 -175.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 59.16 12.1 2.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.527 1.677 . . . . 25.0 115.527 -177.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -117.75 141.46 29.1 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 121.801 -0.562 . . . . 25.0 109.575 177.202 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.79 149.74 54.71 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 115.214 -2.724 . . . . 25.0 111.845 178.818 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 74.6 mt -92.37 141.79 28.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.37 -1.715 . . . . 25.0 106.37 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.6 p -128.5 -43.58 1.41 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.109 1.522 . . . . 25.0 115.109 -174.415 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -85.44 96.67 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.637 . . . . 25.0 110.417 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -68.12 -21.31 64.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -174.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -75.81 -16.66 60.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -174.129 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -77.96 148.68 34.36 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.038 0.447 . . . . 25.0 111.818 -176.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 1.7 m -70.67 157.17 38.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.934 174.015 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 66.1 mt -65.28 -35.3 80.6 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.075 0.464 . . . . 25.0 111.085 179.016 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.06 69.89 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.1 -0.375 . . . . 25.0 111.262 175.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.9 m -69.81 -16.5 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 179.356 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -99.4 -5.98 28.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.997 -0.372 . . . . 25.0 109.997 174.552 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 81.51 21.48 62.03 Favored Glycine 0 N--CA 1.454 -0.148 0 N-CA-C 111.69 -0.564 . . . . 25.0 111.69 -176.569 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.27 81.48 3.05 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 122.115 0.959 . . . . 25.0 110.632 -178.822 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -74.6 171.64 13.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 113.511 -1.677 . . . . 25.0 114.194 -177.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.76 128.89 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.761 172.53 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 87.74 -2.52 85.99 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 25.0 113.341 175.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -77.42 158.73 29.89 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 118.143 0.972 . . . . 25.0 110.664 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 16.7 t -123.2 135.3 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.973 -171.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.91 158.2 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 172.819 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 66.6 mt -125.22 115.22 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -178.834 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 tt -96.51 131.72 42.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.981 -1.488 . . . . 25.0 106.981 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -124.68 120.11 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.686 0.279 . . . . 25.0 111.705 -177.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 125.289 2.471 . . . . 25.0 110.544 174.086 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 124.754 2.216 . . . . 25.0 112.473 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.07 45.32 3.3 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-N 112.946 -1.934 . . . . 25.0 112.902 -178.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -64.26 -15.11 59.46 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.758 1.021 . . . . 25.0 113.758 -175.346 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -125.43 22.23 7.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.078 0.466 . . . . 25.0 110.38 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -79.94 133.78 36.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 179.779 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -125.92 154.69 42.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.904 -1.517 . . . . 25.0 106.904 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -156.02 172.69 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -175.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 67.19 176.15 0.25 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.449 1.1 . . . . 25.0 112.589 178.672 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -135.59 167.16 21.62 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -177.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -111.31 68.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.48 0.657 . . . . 25.0 110.609 -177.772 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -81.47 134.79 35.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.155 -178.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -139.46 157.54 45.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.284 -1.747 . . . . 25.0 106.284 177.887 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.7 t -154.07 159.77 41.68 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 179.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.7 p -152.52 147.53 26.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.635 -1.617 . . . . 25.0 106.635 177.581 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.89 167.7 43.52 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 109.036 -1.626 . . . . 25.0 109.036 -175.077 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -154.96 -164.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.818 0.809 . . . . 25.0 110.34 -178.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.8 mt -76.66 110.1 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 106.019 -1.845 . . . . 25.0 106.019 174.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -151.65 171.78 17.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 -176.46 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.35 -169.91 46.12 Favored Glycine 0 C--O 1.239 0.46 0 N-CA-C 111.014 -0.835 . . . . 25.0 111.014 -175.821 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -150.13 86.22 1.42 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 117.66 0.73 . . . . 25.0 110.7 179.622 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -115.73 163.94 15.08 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 -173.589 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -145.83 161.61 39.57 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.0 tp -107.68 135.09 49.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 25.0 110.787 -177.382 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.6 mt -124.94 146.04 49.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 177.321 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -102.49 136.99 41.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 177.294 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.06 130.24 74.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -119.49 108.04 14.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.8 m -97.86 121.28 39.59 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 122.363 0.265 . . . . 25.0 110.291 -176.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.6 t -109.87 132.29 58.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 122.703 0.401 . . . . 25.0 111.933 -175.503 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -113.59 151.21 31.98 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 172.565 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -62.65 -32.1 73.08 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.873 0.368 . . . . 25.0 111.163 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.54 31.31 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.134 0.79 . . . . 25.0 113.134 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt 52.93 39.78 29.82 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 122.431 1.11 . . . . 25.0 112.384 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.98 25.19 11.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.364 -1.289 . . . . 25.0 112.252 -177.211 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -72.37 152.42 42.06 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.073 0.94 . . . . 25.0 113.256 -170.569 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.8 p -145.49 152.52 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.274 -1.75 . . . . 25.0 106.274 -176.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -139.92 148.94 42.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.632 -1.248 . . . . 25.0 107.632 176.879 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -157.31 174.1 15.95 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 -176.394 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 56.1 m -126.51 146.77 49.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 178.322 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.76 147.66 50.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 -178.33 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -108.28 128.32 54.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.545 -1.28 . . . . 25.0 107.545 177.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.83 160.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -177.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.22 160.74 30.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.22 0.533 . . . . 25.0 110.026 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.45 81.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.221 0.534 . . . . 25.0 109.982 175.855 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -98.64 16.12 23.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.858 -0.61 . . . . 25.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.2 143.2 57.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.04 139.81 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 25.0 111.329 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.63 -33.26 72.52 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 175.017 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -54.23 -48.25 71.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.525 -0.307 . . . . 25.0 111.641 175.311 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -77.82 -29.41 50.65 Favored 'General case' 0 C--O 1.211 -0.924 0 C-N-CA 120.959 -0.297 . . . . 25.0 111.195 -176.084 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.4 -38.71 90.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.963 0.411 . . . . 25.0 111.295 176.399 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -60.98 -49.54 77.04 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 175.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.13 83.67 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.036 -0.984 . . . . 25.0 111.521 -179.019 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.8 mp -64.91 -47.63 77.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.134 -0.354 . . . . 25.0 111.187 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 17.6 p -72.1 -25.42 61.74 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.022 -0.671 . . . . 25.0 111.179 -178.488 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.39 -46.74 72.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.45 -43.61 85.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.522 -179.241 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -65.46 -35.34 80.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.255 0.55 . . . . 25.0 110.789 -178.755 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.5 m -81.69 -26.24 34.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.748 178.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.39 33.02 49.72 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.048 -0.596 . . . . 25.0 112.165 179.504 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 32.5 pt -120.17 154.44 55.98 Favored Pre-proline 0 C--O 1.217 -0.658 0 O-C-N 122.671 -0.311 . . . . 25.0 111.486 -173.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -73.88 138.7 26.38 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 115.904 -2.264 . . . . 25.0 111.941 174.736 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.35 -32.53 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.885 -0.509 . . . . 25.0 111.561 175.228 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.04 -24.57 67.15 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.6 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -104.16 15.62 28.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.316 0.246 . . . . 25.0 111.142 -177.678 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.8 p -127.97 154.49 45.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.152 1.167 . . . . 25.0 114.152 -176.133 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -138.99 136.39 35.31 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 173.314 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.1 tt -114.81 133.67 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.239 0.543 . . . . 25.0 109.88 -173.593 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.87 136.42 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.625 0.77 . . . . 25.0 110.85 -171.83 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -132.62 135.52 45.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 176.214 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 49.46 47.39 22.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 123.272 0.358 . . . . 25.0 110.913 -179.126 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 62.88 2.99 1.08 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.726 1.75 . . . . 25.0 115.726 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -117.2 138.01 24.49 Favored Pre-proline 0 N--CA 1.468 0.435 0 O-C-N 121.763 -0.586 . . . . 25.0 109.69 -178.445 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.13 146.86 47.24 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 115.794 -2.338 . . . . 25.0 113.457 -176.115 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.44 58.56 2.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 176.707 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -37.45 71.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.322 -0.854 . . . . 25.0 111.144 -177.21 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -75.02 129.84 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 178.226 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.76 4.24 47.68 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.853 174.919 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.3 1.68 24.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 118.808 2.892 . . . . 25.0 118.808 -165.325 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.417 ' HB2' ' CE2' ' A' ' 164' ' ' TYR . 99.8 mtt180 -137.38 166.1 24.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.563 0.62 . . . . 25.0 110.284 -178.276 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 162.49 27.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.098 -0.501 . . . . 25.0 111.142 175.902 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.84 -45.74 91.48 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -177.786 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.12 70.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.891 0.377 . . . . 25.0 110.724 178.728 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.1 t -72.77 -16.53 61.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.381 0.512 . . . . 25.0 112.381 178.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 159' ' ' ARG . 57.5 m-85 -95.22 -2.05 50.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.828 -0.804 . . . . 25.0 108.828 173.592 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 83.39 20.58 60.09 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.233 -0.439 . . . . 25.0 112.606 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.15 80.46 4.57 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 -177.827 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.17 160.9 31.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.005 -0.998 . . . . 25.0 113.189 -177.581 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.32 128.43 35.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.225 171.592 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.44 -2.09 77.25 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.486 -0.779 . . . . 25.0 114.059 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.72 164.72 23.49 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.572 1.186 . . . . 25.0 112.19 178.852 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.7 130.74 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.601 . . . . 25.0 111.446 -175.106 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.66 136.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.806 -1.553 . . . . 25.0 106.806 178.178 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 77.2 mt -111.18 128.92 67.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 -178.271 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.8 tt -115.51 143.67 44.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.474 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -118.68 133.12 56.08 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 123.466 1.603 . . . . 25.0 110.941 -179.164 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 122.864 1.316 . . . . 25.0 113.509 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.88 -6.97 79.4 Favored Glycine 0 C--N 1.341 0.826 0 O-C-N 121.245 -0.909 . . . . 25.0 113.144 179.265 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -81.87 67.14 7.74 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 175.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -120.33 159.8 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -173.873 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.81 157.12 16.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.691 -1.596 . . . . 25.0 106.691 174.271 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -121.04 133.14 55.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.743 0.306 . . . . 25.0 110.178 -176.141 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -148.08 117.38 6.91 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -157.45 133.81 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 178.175 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -138.97 157.43 46.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 177.164 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -96.02 134.69 38.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -179.442 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -138.1 163.3 31.97 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 177.218 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -67.65 151.25 47.59 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.07 -0.344 . . . . 25.0 110.07 179.491 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.5 t -148.57 176.45 10.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 178.885 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.2 m 53.34 -136.09 1.41 Allowed 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.639 0.587 . . . . 25.0 110.552 -177.762 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 85.39 -2.65 87.99 Favored Glycine 0 N--CA 1.461 0.367 0 CA-C-O 122.001 0.778 . . . . 25.0 111.22 -176.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -80.07 161.93 25.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.704 -1.591 . . . . 25.0 106.704 176.365 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.8 pt -64.75 154.4 7.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 108.369 -0.975 . . . . 25.0 108.369 174.447 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.73 157.34 37.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.842 -0.617 . . . . 25.0 112.383 -174.062 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.42 22.54 37.03 Favored Glycine 0 C--N 1.33 0.215 0 N-CA-C 111.422 -0.671 . . . . 25.0 111.422 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -80.5 116.08 20.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.339 -0.507 . . . . 25.0 110.276 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -99.74 161.56 13.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 104.129 -2.545 . . . . 25.0 104.129 174.388 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -151.18 172.16 16.25 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -119.75 132.25 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 -179.495 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.7 mt -121.69 153.85 37.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.75 -1.204 . . . . 25.0 107.75 176.256 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 m -107.27 137.49 45.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 178.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.7 t -125.02 128.57 73.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -108.83 122.0 46.26 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.821 -1.177 . . . . 25.0 107.821 175.536 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 96.6 m -113.47 117.97 33.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.026 0.917 . . . . 25.0 111.731 -177.003 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.1 t -91.7 113.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -91.76 145.45 24.57 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 174.285 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -58.64 -34.2 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.336 0.589 . . . . 25.0 111.365 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.63 19.08 3.02 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -173.154 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.6 mt 58.95 26.04 14.5 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 122.569 1.175 . . . . 25.0 111.057 -177.351 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.1 m -87.08 25.83 1.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 125.572 1.549 . . . . 25.0 110.27 177.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.94 149.3 45.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.328 -0.851 . . . . 25.0 110.194 -163.169 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.88 156.46 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.688 -1.142 . . . . 25.0 110.082 -166.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -128.14 145.93 50.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.122 -1.436 . . . . 25.0 107.122 174.562 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -154.52 173.95 15.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.352 -1.721 . . . . 25.0 106.352 178.172 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -127.6 146.9 50.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 179.543 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -119.67 144.77 47.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.474 -178.296 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -100.56 124.25 45.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.761 -1.941 . . . . 25.0 105.761 175.85 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.1 m -140.7 165.34 20.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -174.271 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -87.34 164.47 16.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.314 -0.995 . . . . 25.0 108.314 174.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.06 99.17 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -94.36 17.85 12.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.842 0.829 . . . . 25.0 112.299 -175.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.06 133.53 55.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 179.132 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HB2' ' H ' ' A' ' 129' ' ' ASN . 79.0 mt-10 -63.97 149.09 48.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.455 -0.202 . . . . 25.0 110.455 179.443 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -64.24 -36.77 85.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 168.52 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -58.36 -39.85 80.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.894 177.621 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.436 ' H ' ' HB2' ' A' ' 126' ' ' GLU . 23.3 t-20 -77.99 -36.44 48.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.698 0.761 . . . . 25.0 110.084 177.584 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.27 -45.58 92.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.696 -0.627 . . . . 25.0 112.186 179.242 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.98 69.25 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.11 178.826 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.62 71.25 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.076 0.398 . . . . 25.0 110.044 177.454 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.45 -40.65 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 25.0 109.6 177.474 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 51.9 t -62.94 -43.5 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.177 -0.465 . . . . 25.0 110.614 177.764 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.09 -42.63 90.95 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.273 0.629 . . . . 25.0 110.8 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.89 -50.43 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.23 -0.441 . . . . 25.0 112.021 179.479 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -70.36 -33.32 71.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.069 0.461 . . . . 25.0 111.774 -177.705 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.1 m -77.56 -28.93 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 -177.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.57 11.4 85.5 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.864 -0.684 . . . . 25.0 112.583 179.428 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.8 pt -131.46 141.61 42.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.723 -1.214 . . . . 25.0 107.723 179.081 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -64.09 135.69 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 116.19 -2.073 . . . . 25.0 113.013 -178.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.29 69.53 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.192 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.76 -25.04 64.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.863 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.11 19.15 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 m -140.58 179.21 6.81 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -176.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -128.26 150.82 49.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 172.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.14 133.85 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.415 0.626 . . . . 25.0 111.242 -176.008 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 144.62 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.196 0.522 . . . . 25.0 110.917 -173.454 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -145.81 135.69 23.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 177.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 51.18 43.01 29.39 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 122.757 0.423 . . . . 25.0 111.112 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 59.79 7.19 1.03 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.623 1.712 . . . . 25.0 115.623 -178.33 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -113.41 137.35 22.06 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.063 -0.718 . . . . 25.0 109.063 178.787 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.8 148.18 64.24 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 115.476 -2.549 . . . . 25.0 111.436 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.46 ' HB3' HD11 ' A' ' 127' ' ' LEU . 28.5 mt -89.2 75.25 7.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 -178.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 38.2 p -90.51 -30.52 17.23 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.805 2.15 . . . . 25.0 116.805 -172.4 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -83.13 86.09 7.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 -172.31 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -61.23 -21.4 63.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.81 -2.7 55.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -179.471 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -87.14 152.87 21.96 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 176.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 11.0 m -86.24 166.31 15.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 171.047 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.39 -35.98 81.7 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.785 -0.572 . . . . 25.0 110.637 179.328 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.14 69.31 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.197 -0.315 . . . . 25.0 111.117 174.419 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.4 m -70.47 -16.57 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -97.68 -6.04 33.95 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 174.575 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.61 71.83 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.712 -0.955 . . . . 25.0 110.712 -175.117 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.17 81.68 1.8 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 121.449 0.642 . . . . 25.0 109.639 -178.565 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 164.06 20.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.682 -178.589 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.48 119.3 3.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.512 0.93 . . . . 25.0 113.512 -177.025 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 103.83 -9.41 51.58 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.404 -0.816 . . . . 25.0 113.991 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -66.99 153.77 42.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 118.105 0.953 . . . . 25.0 110.591 178.581 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.94 127.87 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.494 -0.775 . . . . 25.0 110.856 -176.8 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.9 142.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 176.715 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 90.6 mt -118.8 126.31 75.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 -178.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 2.5 tt -109.72 133.54 53.02 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.242 -1.762 . . . . 25.0 106.242 175.257 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -124.32 120.38 31.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.53 0.681 . . . . 25.0 112.416 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 . . . . . 0 C--O 1.21 -1.02 0 CA-C-O 124.094 1.902 . . . . 25.0 110.278 171.287 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 124.829 2.252 . . . . 25.0 112.46 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.13 169.99 43.13 Favored Glycine 0 C--O 1.225 -0.416 0 CA-C-N 113.331 -1.759 . . . . 25.0 109.156 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.87 -48.77 2.74 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 117.367 0.584 . . . . 25.0 111.845 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.3 t60 51.55 37.97 21.05 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 179.489 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -71.6 132.07 44.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 178.313 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -151.21 116.28 5.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.892 0.33 . . . . 25.0 111.892 -176.442 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -146.69 155.92 42.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.466 -1.309 . . . . 25.0 107.466 176.841 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -151.51 140.98 21.57 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.334 -1.358 . . . . 25.0 107.334 178.592 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -137.17 145.4 43.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 -177.511 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.55 116.22 4.46 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 -179.626 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -140.6 167.55 21.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.326 -0.62 . . . . 25.0 109.326 -176.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 53.18 36.72 23.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.266 1.21 . . . . 25.0 114.266 175.219 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 m -88.66 -3.18 58.84 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.242 1.201 . . . . 25.0 114.242 -176.838 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.1 m -118.67 143.34 46.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -175.67 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.12 167.53 38.29 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 108.835 -1.706 . . . . 25.0 108.835 177.298 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -160.57 171.74 18.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.35 -2.093 . . . . 25.0 105.35 178.002 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.7 pt -133.97 165.05 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 176.104 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -134.3 162.06 33.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.192 -1.41 . . . . 25.0 107.192 177.058 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.82 134.03 3.85 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 108.827 -1.709 . . . . 25.0 108.827 176.468 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -77.91 126.5 30.93 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 -178.522 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -163.64 -179.48 6.44 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 101.592 -3.484 . . . . 25.0 101.592 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -137.03 152.18 49.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 172.638 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.4 tp -102.08 131.96 48.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 -178.532 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.83 151.74 44.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 176.205 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 138.72 43.44 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.15 123.3 65.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 178.37 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -103.73 120.33 40.73 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 177.767 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -97.49 123.26 41.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 179.306 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.62 124.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.822 -0.626 . . . . 25.0 110.206 -179.588 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.407 ' HD3' ' HB2' ' A' ' 113' ' ' SER . 69.1 mtp180 -123.06 143.89 49.66 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 107.856 -1.165 . . . . 25.0 107.856 174.074 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.81 -25.03 64.63 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -175.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.47 28.63 1.92 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.887 0.375 . . . . 25.0 111.96 -176.02 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt 54.58 32.73 17.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 122.235 1.017 . . . . 25.0 112.286 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.407 ' HB2' ' HD3' ' A' ' 109' ' ' ARG . 0.8 OUTLIER -91.15 25.63 2.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.713 -1.131 . . . . 25.0 109.553 179.364 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -72.33 148.02 45.76 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.575 -1.193 . . . . 25.0 111.37 -168.636 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 p -155.16 148.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 107.888 -1.152 . . . . 25.0 107.888 -178.187 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 t -124.9 144.78 50.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.618 -1.623 . . . . 25.0 106.618 175.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -150.8 170.78 18.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.147 -1.797 . . . . 25.0 106.147 -178.461 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.5 p -128.46 152.84 47.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 -179.708 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.65 148.93 52.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 -175.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -103.35 125.42 49.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 177.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.42 163.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 -177.244 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.3 -1.371 . . . . 25.0 107.3 173.649 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.37 90.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 175.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -95.46 19.25 11.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 25.0 112.539 -177.473 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -63.8 134.03 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 178.108 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.62 145.85 50.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -177.376 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -64.02 -26.67 68.67 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.422 0.63 . . . . 25.0 109.446 169.861 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -63.57 -44.68 93.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.694 -0.685 . . . . 25.0 110.614 179.541 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -77.33 -33.36 55.52 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.865 0.364 . . . . 25.0 110.285 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -61.9 -41.95 98.49 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 25.0 113.45 -178.35 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -65.72 -30.98 71.73 Favored 'General case' 0 C--O 1.216 -0.696 0 C-N-CA 119.995 -0.682 . . . . 25.0 110.441 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.71 64.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.085 0.469 . . . . 25.0 109.975 175.285 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -64.73 -45.03 88.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 25.0 110.836 -178.564 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.8 p -75.55 -25.52 57.21 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.563 -0.455 . . . . 25.0 111.241 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -65.77 -45.33 82.92 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 176.346 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.71 -45.35 93.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.159 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.82 -35.93 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -177.012 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.6 p -84.06 -21.29 31.59 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.79 -0.569 . . . . 25.0 112.135 -179.281 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.09 9.65 86.4 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 121.158 -0.544 . . . . 25.0 113.829 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.46 144.14 52.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 117.336 0.568 . . . . 25.0 110.062 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -63.93 138.56 63.46 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 117.303 -1.331 . . . . 25.0 115.384 -175.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.5 -29.4 70.44 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.389 -0.967 . . . . 25.0 108.389 172.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.648 -0.706 . . . . 25.0 112.761 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -99.93 8.23 44.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.506 . . . . 25.0 111.172 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 71.7 p -134.45 177.26 7.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 -176.407 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -127.41 116.09 19.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.327 0.584 . . . . 25.0 109.731 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 tt -88.75 131.19 36.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 179.4 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.7 p -140.56 141.05 33.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.514 0.673 . . . . 25.0 109.875 -174.361 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -142.39 134.03 26.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 179.35 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 50.1 43.53 25.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.015 0.436 . . . . 25.0 110.686 -177.171 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 60.61 8.52 1.75 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.305 1.594 . . . . 25.0 115.305 -178.34 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -112.27 135.46 21.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 121.818 -0.551 . . . . 25.0 110.055 178.9 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -70.95 149.97 60.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 115.985 -2.21 . . . . 25.0 112.13 179.237 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 127' ' ' LEU . 61.7 mt -102.71 77.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.319 0.581 . . . . 25.0 111.058 -178.693 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 34.3 p -92.04 -43.64 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -176.032 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.54 117.92 17.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.161 0.801 . . . . 25.0 113.161 -172.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -78.51 1.86 21.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.664 177.015 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -72.07 3.59 4.3 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.087 1.143 . . . . 25.0 114.087 -176.089 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -144.51 150.97 38.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.815 -0.553 . . . . 25.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 23.2 p -83.05 167.83 17.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.289 -0.869 . . . . 25.0 109.012 174.149 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -42.19 98.08 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.09 -30.09 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.871 -0.518 . . . . 25.0 110.851 178.398 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.7 m -70.1 -16.58 63.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 178.084 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.404 ' CE2' HD12 ' A' ' 127' ' ' LEU . 45.1 m-85 -97.13 -3.58 40.84 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 174.319 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 94.01 9.46 59.53 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-O 119.527 -0.596 . . . . 25.0 114.104 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.47 85.29 1.52 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.105 0.952 . . . . 25.0 109.809 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -76.6 166.25 23.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.476 -0.783 . . . . 25.0 110.017 175.457 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.27 129.02 33.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 25.0 109.574 174.577 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.59 -8.25 68.66 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.7 -0.682 . . . . 25.0 114.357 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.4 160.13 29.84 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 117.952 0.876 . . . . 25.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.1 131.53 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 113.117 0.784 . . . . 25.0 113.117 -172.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 51.6 t -109.73 146.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.782 -1.562 . . . . 25.0 106.782 176.603 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 89.1 mt -118.81 134.0 63.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 178.805 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.8 126.01 50.89 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 177.253 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -119.96 119.49 33.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.965 0.728 . . . . 25.0 112.965 -172.474 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 125.15 2.405 . . . . 25.0 111.168 175.306 . . . . . . . . 0 0 . 1 stop_ save_